WebMO Job Summary

Quantity	Value
Route	#N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) SCRF=(PCM,Solvent=Water)
Stoichiometry	C2H4N3(1+)
Symmetry	C2V
Basis	6-31G(d)
RHF Energy	-241.165610632 Hartree
MP2 Energy	-241.90061110505 Hartree
Dipole Moment	0.0005 Debye
Server	batch (360117)
CPU time	7.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	9.4942701	0.31669476155
b	8.5912975	0.28657483772
c	4.6271380	0.15434471003

Atom	Symbol	Charge
1	N	-0.412688
2	N	-0.258481
3	C	0.106939
4	C	0.106939
5	N	-0.258481
6	H	0.339599
7	H	0.339599
8	H	0.518288
9	H	0.518288

Display Range		- / 83
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-15.78966 Hartree
2	B2	2	-15.69733 Hartree
3	A1	2	-15.69729 Hartree
4	A1	2	-11.36974 Hartree
5	B2	2	-11.36893 Hartree
6	A1	2	-1.49035 Hartree
7	B2	2	-1.26595 Hartree
8	A1	2	-1.21241 Hartree
9	A1	2	-0.93479 Hartree
10	B2	2	-0.88553 Hartree
11	B1	2	-0.83663 Hartree
12	A1	2	-0.80519 Hartree
13	B2	2	-0.68571 Hartree
14	A1	2	-0.68164 Hartree
15	A1	2	-0.57203 Hartree
16	B1	2	-0.55333 Hartree
17	B2	2	-0.53872 Hartree
18	A2	2	-0.49260 Hartree
19	B1	0	0.02160 Hartree
20	A1	0	0.17567 Hartree
21	A2	0	0.17594 Hartree
22	B1	0	0.23545 Hartree
23	A1	0	0.24567 Hartree
24	B2	0	0.25320 Hartree
25	B2	0	0.27449 Hartree
26	A1	0	0.29009 Hartree
27	A1	0	0.35208 Hartree
28	B2	0	0.48915 Hartree
29	B2	0	0.54354 Hartree
30	A1	0	0.69455 Hartree
31	B1	0	0.69460 Hartree
32	B2	0	0.75044 Hartree
33	A2	0	0.78216 Hartree
34	A1	0	0.80369 Hartree
35	A1	0	0.83663 Hartree
36	A1	0	0.86655 Hartree
37	B2	0	0.88665 Hartree
38	B1	0	0.89468 Hartree
39	A1	0	0.95652 Hartree
40	A2	0	0.98505 Hartree
41	B2	0	0.99600 Hartree
42	B2	0	1.01026 Hartree
43	B1	0	1.03581 Hartree
44	A1	0	1.04921 Hartree
45	B1	0	1.05814 Hartree
46	A1	0	1.08699 Hartree
47	B2	0	1.10849 Hartree
48	A1	0	1.11683 Hartree
49	B2	0	1.16617 Hartree
50	B2	0	1.36311 Hartree
51	A1	0	1.36951 Hartree
52	A2	0	1.52532 Hartree
53	B1	0	1.56857 Hartree
54	B1	0	1.65303 Hartree
55	B2	0	1.68421 Hartree
56	A1	0	1.71491 Hartree
57	A2	0	1.73323 Hartree
58	A1	0	1.76785 Hartree
59	A1	0	2.08804 Hartree
60	B2	0	2.11907 Hartree
61	B2	0	2.19050 Hartree
62	A1	0	2.22990 Hartree
63	A2	0	2.32039 Hartree
64	B1	0	2.33121 Hartree
65	A1	0	2.35973 Hartree
66	A1	0	2.46367 Hartree
67	B1	0	2.50849 Hartree
68	B2	0	2.51719 Hartree
69	A2	0	2.58663 Hartree
70	B1	0	2.70855 Hartree
71	A2	0	2.79480 Hartree
72	A1	0	2.80238 Hartree
73	B2	0	2.84621 Hartree
74	B2	0	2.89185 Hartree
75	A1	0	2.97774 Hartree
76	A1	0	3.05215 Hartree
77	B2	0	3.19083 Hartree
78	B2	0	3.30195 Hartree
79	A1	0	4.02983 Hartree
80	B2	0	4.19163 Hartree
81	A1	0	4.36466 Hartree
82	A1	0	4.41142 Hartree
83	B2	0	4.66843 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	N	-0.36264
2	N	-0.26132
3	C	0.12431
4	C	0.12431
5	N	-0.26132
6	H	0.29240
7	H	0.29240
8	H	0.52593
9	H	0.52593

Display Range		- / 83
Orbital	Description	Occupancy	Energy	Actions
1	N1 Cor(1S)	1.999621151	-15.638927364 Hartree
2	N1 Val(2S)	1.354365027	-0.861173874 Hartree
3	N1 Ryd(3S)	0.001051231	1.748434026 Hartree
4	N1 Ryd(4S)	0.000040643	4.078971236 Hartree
5	N1 Val(2p)	1.519962515	-0.465552993 Hartree
6	N1 Ryd(3p)	0.000432511	1.092110001 Hartree
7	N1 Val(2p)	1.105664832	-0.326210921 Hartree
8	N1 Ryd(3p)	0.003226490	0.953859198 Hartree
9	N1 Val(2p)	1.361366763	-0.421383963 Hartree
10	N1 Ryd(3p)	0.003712297	0.979325343 Hartree
11	N1 Ryd(3d)	0.001307985	1.996756344 Hartree
12	N1 Ryd(3d)	0.003648028	2.446190806 Hartree
13	N1 Ryd(3d)	0.003378831	2.533221340 Hartree
14	N1 Ryd(3d)	0.003719770	2.471900382 Hartree
15	N1 Ryd(3d)	0.001143257	2.095935284 Hartree
16	N2 Cor(1S)	1.999481171	-15.511669972 Hartree
17	N2 Val(2S)	1.483412024	-0.795685458 Hartree
18	N2 Ryd(3S)	0.000969212	1.843940461 Hartree
19	N2 Ryd(4S)	0.000012058	4.028510142 Hartree
20	N2 Val(2p)	1.234380035	-0.277277166 Hartree
21	N2 Ryd(3p)	0.002400673	0.978258270 Hartree
22	N2 Val(2p)	1.338938171	-0.304781072 Hartree
23	N2 Ryd(3p)	0.003547263	1.012084544 Hartree
24	N2 Val(2p)	1.174952715	-0.256003146 Hartree
25	N2 Ryd(3p)	0.005038350	1.060080947 Hartree
26	N2 Ryd(3d)	0.003212532	2.099123620 Hartree
27	N2 Ryd(3d)	0.003122097	2.027241836 Hartree
28	N2 Ryd(3d)	0.004832952	2.504580684 Hartree
29	N2 Ryd(3d)	0.004534584	2.284497621 Hartree
30	N2 Ryd(3d)	0.002482726	2.431610014 Hartree
31	C3 Cor(1S)	1.999337440	-11.231101660 Hartree
32	C3 Val(2S)	1.001315667	-0.303090524 Hartree
33	C3 Ryd(3S)	0.002775779	1.105189084 Hartree
34	C3 Ryd(4S)	0.000057680	4.225783419 Hartree
35	C3 Val(2p)	0.761651720	-0.099811460 Hartree
36	C3 Ryd(3p)	0.000820111	0.739335407 Hartree
37	C3 Val(2p)	1.053865275	-0.097515348 Hartree
38	C3 Ryd(3p)	0.007706698	0.887249881 Hartree
39	C3 Val(2p)	1.033141518	-0.089240923 Hartree
40	C3 Ryd(3p)	0.008339462	0.980007133 Hartree
41	C3 Ryd(3d)	0.000406443	2.084071742 Hartree
42	C3 Ryd(3d)	0.001868130	2.282061748 Hartree
43	C3 Ryd(3d)	0.001652065	2.699589707 Hartree
44	C3 Ryd(3d)	0.001163335	2.530621232 Hartree
45	C3 Ryd(3d)	0.001590850	2.699786756 Hartree
46	C4 Cor(1S)	1.999337440	-11.231101660 Hartree
47	C4 Val(2S)	1.001315667	-0.303090524 Hartree
48	C4 Ryd(3S)	0.002775779	1.105189084 Hartree
49	C4 Ryd(4S)	0.000057680	4.225783419 Hartree
50	C4 Val(2p)	0.761651720	-0.099811460 Hartree
51	C4 Ryd(3p)	0.000820111	0.739335407 Hartree
52	C4 Val(2p)	1.053865275	-0.097515348 Hartree
53	C4 Ryd(3p)	0.007706698	0.887249881 Hartree
54	C4 Val(2p)	1.033141518	-0.089240923 Hartree
55	C4 Ryd(3p)	0.008339462	0.980007133 Hartree
56	C4 Ryd(3d)	0.000406443	2.084071742 Hartree
57	C4 Ryd(3d)	0.001868130	2.282061748 Hartree
58	C4 Ryd(3d)	0.001652065	2.699589707 Hartree
59	C4 Ryd(3d)	0.001163335	2.530621232 Hartree
60	C4 Ryd(3d)	0.001590850	2.699786756 Hartree
61	N5 Cor(1S)	1.999481171	-15.511669972 Hartree
62	N5 Val(2S)	1.483412024	-0.795685458 Hartree
63	N5 Ryd(3S)	0.000969212	1.843940461 Hartree
64	N5 Ryd(4S)	0.000012058	4.028510142 Hartree
65	N5 Val(2p)	1.234380035	-0.277277166 Hartree
66	N5 Ryd(3p)	0.002400673	0.978258270 Hartree
67	N5 Val(2p)	1.338938171	-0.304781072 Hartree
68	N5 Ryd(3p)	0.003547263	1.012084544 Hartree
69	N5 Val(2p)	1.174952715	-0.256003146 Hartree
70	N5 Ryd(3p)	0.005038350	1.060080947 Hartree
71	N5 Ryd(3d)	0.003212532	2.099123620 Hartree
72	N5 Ryd(3d)	0.003122097	2.027241836 Hartree
73	N5 Ryd(3d)	0.004832952	2.504580684 Hartree
74	N5 Ryd(3d)	0.004534584	2.284497621 Hartree
75	N5 Ryd(3d)	0.002482726	2.431610014 Hartree
76	H6 Val(1S)	0.707321288	0.177951583 Hartree
77	H6 Ryd(2S)	0.000276167	0.644990479 Hartree
78	H7 Val(1S)	0.707321288	0.177951583 Hartree
79	H7 Ryd(2S)	0.000276167	0.644990479 Hartree
80	H8 Val(1S)	0.472848441	0.258643736 Hartree
81	H8 Ryd(2S)	0.001224703	0.681962687 Hartree
82	H9 Val(1S)	0.472848441	0.258643736 Hartree
83	H9 Ryd(2S)	0.001224703	0.681962687 Hartree

Display Range		- / 83
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)N1(N2) 1s(25.31%)p2.94(74.49%)d0.01(0.20%)	1.160582465	-0.443623133 Hartree
2	BD(1)N2(N1) 2s(16.76%)p4.94(82.74%)d0.03(0.50%)	0.861656214	-0.208389421 Hartree
3	BD(1)N1(N5) 1s(25.31%)p2.94(74.49%)d0.01(0.20%)	1.160582465	-0.443623133 Hartree
4	BD(1)N5(N1) 5s(16.76%)p4.94(82.74%)d0.03(0.50%)	0.861656214	-0.208389421 Hartree
5	BD(1)N1(H8) 1s(24.69%)p3.04(75.15%)d0.01(0.16%)	1.516045984	-0.580236727 Hartree
6	BD(1)H8(N1) 8s(100.00%)	0.472833670	0.262971761 Hartree
7	BD(1)N1(H9) 1s(24.69%)p3.04(75.15%)d0.01(0.16%)	1.516045984	-0.580236727 Hartree
8	BD(1)H9(N1) 9s(100.00%)	0.472833670	0.262971761 Hartree
9	BD(1)N2(C3) 2s(39.36%)p1.53(60.22%)d0.01(0.42%)	1.191881244	-0.411946478 Hartree
10	BD(1)C3(N2) 3s(30.92%)p2.23(68.96%)d0.00(0.12%)	0.806478059	-0.017587928 Hartree
11	BD(2)N2(C3) 2s(0.00%)p1.00(99.49%)d0.01(0.51%)	1.240854189	-0.282168209 Hartree
12	BD(2)C3(N2) 3s(0.00%)p1.00(99.74%)d0.00(0.26%)	0.763863221	-0.098823384 Hartree
13	BD(1)C3(C4) 3s(33.11%)p2.02(66.75%)d0.00(0.14%)	1.009588671	-0.162718596 Hartree
14	BD(1)C4(C3) 4s(33.11%)p2.02(66.75%)d0.00(0.14%)	1.009588671	-0.162718596 Hartree
15	BD(1)C3(H7) 3s(35.96%)p1.78(63.95%)d0.00(0.09%)	1.284740911	-0.266858088 Hartree
16	BD(1)H7(C3) 7s(100.00%)	0.707320066	0.178789211 Hartree
17	BD(1)C4(N5) 4s(30.92%)p2.23(68.96%)d0.00(0.12%)	0.806478059	-0.017587928 Hartree
18	BD(1)N5(C4) 5s(39.36%)p1.53(60.22%)d0.01(0.42%)	1.191881244	-0.411946478 Hartree
19	BD(2)C4(N5) 4s(0.00%)p1.00(99.74%)d0.00(0.26%)	0.763863221	-0.098823384 Hartree
20	BD(2)N5(C4) 5s(0.00%)p1.00(99.49%)d0.01(0.51%)	1.240854189	-0.282168209 Hartree
21	BD(1)C4(H6) 4s(35.96%)p1.78(63.95%)d0.00(0.09%)	1.284740911	-0.266858088 Hartree
22	BD(1)H6(C4) 6s(100.00%)	0.707320066	0.178789211 Hartree
23	CR(1)N1 s(100.00%)p0.00(0.00%)	1.999620517	-15.639007248 Hartree
24	CR(1)N2 s(100.00%)p0.00(0.00%)	1.999482482	-15.512282495 Hartree
25	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999340184	-11.231461215 Hartree
26	CR(1)C4 s(100.00%)p0.00(0.00%)	1.999340184	-11.231461215 Hartree
27	CR(1)N5 s(100.00%)p0.00(0.00%)	1.999482482	-15.512282495 Hartree
28	LP(1)N2 s(43.84%)p1.28(56.04%)d0.00(0.11%)	1.959715269	-0.714915549 Hartree
29	LP(1)N5 s(43.84%)p1.28(56.04%)d0.00(0.11%)	1.959715269	-0.714915549 Hartree
30	RY*(1)N1 s(15.81%)p4.18(66.11%)d1.14(18.08%)	0.004445108	1.306903120 Hartree
31	RY*(2)N1 s(0.00%)p1.00(76.92%)d0.30(23.08%)	0.001779583	1.165742256 Hartree
32	RY*(3)N1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.001307985	1.996756344 Hartree
33	RY*(4)N1 s(18.89%)p0.32(6.07%)d3.97(75.03%)	0.001111578	2.160252040 Hartree
34	RY*(5)N1 s(0.00%)p1.00(9.59%)d9.43(90.41%)	0.000950723	2.436609754 Hartree
35	RY*(6)N1 s(0.00%)p1.00(23.36%)d3.28(76.64%)	0.000134736	2.303948781 Hartree
36	RY*(7)N1 s(8.74%)p0.02(0.19%)d10.42(91.07%)	0.000030859	2.496120937 Hartree
37	RY*(8)N1 s(90.39%)p0.00(0.15%)d0.10(9.46%)	0.000001506	3.832616124 Hartree
38	RY*(9)N1 s(0.00%)p1.00(90.60%)d0.10(9.40%)	0.000000000	1.096853929 Hartree
39	RY*(10)N1 s(66.17%)p0.42(27.71%)d0.09(6.12%)	0.000001837	1.574378527 Hartree
40	RY*(1)N2 s(0.17%)p99.99(98.46%)d7.96(1.36%)	0.002880455	0.971518699 Hartree
41	RY*(2)N2 s(0.00%)p1.00(94.50%)d0.06(5.50%)	0.002148588	1.046361795 Hartree
42	RY*(3)N2 s(0.06%)p99.99(97.71%)d37.27(2.23%)	0.001719305	1.092855971 Hartree
43	RY*(4)N2 s(34.80%)p0.02(0.56%)d1.86(64.64%)	0.000581007	2.429185951 Hartree
44	RY*(5)N2 s(53.60%)p0.01(0.32%)d0.86(46.08%)	0.000170314	2.191182308 Hartree
45	RY*(6)N2 s(0.00%)p1.00(5.15%)d18.40(94.85%)	0.000112561	1.922625814 Hartree
46	RY*(7)N2 s(5.09%)p0.40(2.01%)d18.24(92.89%)	0.000101182	2.188780695 Hartree
47	RY*(8)N2 s(8.63%)p0.20(1.71%)d10.39(89.66%)	0.000012888	2.201390343 Hartree
48	RY*(9)N2 s(97.68%)p0.00(0.21%)d0.02(2.10%)	0.000000865	4.069784741 Hartree
49	RY*(10)N2 s(0.00%)p1.00(0.86%)d99.99(99.14%)	0.000000000	2.140527160 Hartree
50	RY*(1)C3 s(14.51%)p5.18(75.17%)d0.71(10.32%)	0.006591356	1.090042023 Hartree
51	RY*(2)C3 s(1.76%)p53.12(93.35%)d2.79(4.90%)	0.003408183	1.079837024 Hartree
52	RY*(3)C3 s(0.00%)p1.00(27.87%)d2.59(72.13%)	0.000566751	1.763764763 Hartree
53	RY*(4)C3 s(45.39%)p0.58(26.10%)d0.63(28.51%)	0.000534675	1.455216668 Hartree
54	RY*(5)C3 s(0.00%)p1.00(70.38%)d0.42(29.62%)	0.000316433	1.208804295 Hartree
55	RY*(6)C3 s(31.59%)p0.02(0.60%)d2.15(67.81%)	0.000199684	2.165392537 Hartree
56	RY*(7)C3 s(6.19%)p0.59(3.66%)d14.57(90.16%)	0.000040559	2.594573146 Hartree
57	RY*(8)C3 s(96.70%)p0.01(1.38%)d0.02(1.92%)	0.000014053	4.143832443 Hartree
58	RY*(9)C3 s(3.86%)p0.02(0.08%)d24.86(96.06%)	0.000009432	2.557010744 Hartree
59	RY*(10)C3 s(0.00%)p1.00(2.01%)d48.65(97.99%)	0.000000000	2.131911762 Hartree
60	RY*(1)C4 s(14.51%)p5.18(75.17%)d0.71(10.32%)	0.006591356	1.090042023 Hartree
61	RY*(2)C4 s(1.76%)p53.12(93.35%)d2.79(4.90%)	0.003408183	1.079837024 Hartree
62	RY*(3)C4 s(0.00%)p1.00(27.87%)d2.59(72.13%)	0.000566751	1.763764763 Hartree
63	RY*(4)C4 s(45.39%)p0.58(26.10%)d0.63(28.51%)	0.000534675	1.455216668 Hartree
64	RY*(5)C4 s(0.00%)p1.00(70.38%)d0.42(29.62%)	0.000316433	1.208804295 Hartree
65	RY*(6)C4 s(31.59%)p0.02(0.60%)d2.15(67.81%)	0.000199684	2.165392537 Hartree
66	RY*(7)C4 s(6.19%)p0.59(3.66%)d14.57(90.16%)	0.000040559	2.594573146 Hartree
67	RY*(8)C4 s(96.70%)p0.01(1.38%)d0.02(1.92%)	0.000014053	4.143832443 Hartree
68	RY*(9)C4 s(3.86%)p0.02(0.08%)d24.86(96.06%)	0.000009432	2.557010744 Hartree
69	RY*(10)C4 s(0.00%)p1.00(2.01%)d48.65(97.99%)	0.000000000	2.131911762 Hartree
70	RY*(1)N5 s(0.17%)p99.99(98.46%)d7.96(1.36%)	0.002880455	0.971518699 Hartree
71	RY*(2)N5 s(0.00%)p1.00(94.50%)d0.06(5.50%)	0.002148588	1.046361795 Hartree
72	RY*(3)N5 s(0.06%)p99.99(97.71%)d37.27(2.23%)	0.001719305	1.092855971 Hartree
73	RY*(4)N5 s(34.80%)p0.02(0.56%)d1.86(64.64%)	0.000581007	2.429185951 Hartree
74	RY*(5)N5 s(53.60%)p0.01(0.32%)d0.86(46.08%)	0.000170314	2.191182308 Hartree
75	RY*(6)N5 s(0.00%)p1.00(5.15%)d18.40(94.85%)	0.000112561	1.922625814 Hartree
76	RY*(7)N5 s(5.09%)p0.40(2.01%)d18.24(92.89%)	0.000101182	2.188780695 Hartree
77	RY*(8)N5 s(8.63%)p0.20(1.71%)d10.39(89.66%)	0.000012888	2.201390343 Hartree
78	RY*(9)N5 s(97.68%)p0.00(0.21%)d0.02(2.10%)	0.000000865	4.069784741 Hartree
79	RY*(10)N5 s(0.00%)p1.00(0.86%)d99.99(99.14%)	0.000000000	2.140527160 Hartree
80	RY*(1)H6 s(100.00%)	0.000277388	0.644152851 Hartree
81	RY*(1)H7 s(100.00%)	0.000277388	0.644152851 Hartree
82	RY*(1)H8 s(100.00%)	0.001239474	0.677634662 Hartree
83	RY*(1)H9 s(100.00%)	0.001239474	0.677634662 Hartree

Display Range		- / 83
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)N1-N2	439, 440	1.987789902	-1.070895820 Hartree
2	BD(1)N1-N5	441, 442	1.987789902	-1.070895820 Hartree
3	BD(1)N1-H8	443, 444	1.978493806	-0.955870634 Hartree
4	BD(1)N1-H9	445, 446	1.978493806	-0.955870634 Hartree
5	BD(1)N2-C3	447, 448	1.992373818	-1.221933202 Hartree
6	BD(2)N2-C3	449, 450	1.943488234	-0.518017003 Hartree
7	BD(1)C3-C4	451, 452	1.989824028	-0.973292311 Hartree
8	BD(1)C3-H7	453, 454	1.981961169	-0.807690558 Hartree
9	BD(1)C4-N5	455, 456	1.992373819	-1.221933203 Hartree
10	BD(2)C4-N5	457, 458	1.943488234	-0.518017003 Hartree
11	BD(1)C4-H6	459, 460	1.981961169	-0.807690558 Hartree
12	CR(1)N1	461	1.999620517	-15.639007248 Hartree
13	CR(1)N2	462	1.999482482	-15.512282495 Hartree
14	CR(1)C3	463	1.999340184	-11.231461215 Hartree
15	CR(1)C4	464	1.999340184	-11.231461215 Hartree
16	CR(1)N5	465	1.999482482	-15.512282495 Hartree
17	LP(1)N2	466	1.959715269	-0.714915549 Hartree
18	LP(1)N5	467	1.959715269	-0.714915549 Hartree
19	RY*(1)N1	468	0.004445108	1.306903120 Hartree
20	RY*(2)N1	469	0.001779583	1.165742256 Hartree
21	RY*(3)N1	470	0.001307985	1.996756344 Hartree
22	RY*(4)N1	471	0.001111578	2.160252040 Hartree
23	RY*(5)N1	472	0.000950723	2.436609754 Hartree
24	RY*(6)N1	473	0.000134736	2.303948781 Hartree
25	RY*(7)N1	474	0.000030859	2.496120937 Hartree
26	RY*(8)N1	475	0.000001506	3.832616124 Hartree
27	RY*(9)N1	476	0.000000000	1.096853929 Hartree
28	RY*(10)N1	477	0.000001837	1.574378527 Hartree
29	RY*(1)N2	478	0.002880455	0.971518699 Hartree
30	RY*(2)N2	479	0.002148588	1.046361795 Hartree
31	RY*(3)N2	480	0.001719305	1.092855971 Hartree
32	RY*(4)N2	481	0.000581007	2.429185951 Hartree
33	RY*(5)N2	482	0.000170314	2.191182308 Hartree
34	RY*(6)N2	483	0.000112561	1.922625814 Hartree
35	RY*(7)N2	484	0.000101182	2.188780695 Hartree
36	RY*(8)N2	485	0.000012888	2.201390343 Hartree
37	RY*(9)N2	486	0.000000865	4.069784741 Hartree
38	RY*(10)N2	487	0.000000000	2.140527160 Hartree
39	RY*(1)C3	488	0.006591356	1.090042023 Hartree
40	RY*(2)C3	489	0.003408183	1.079837024 Hartree
41	RY*(3)C3	490	0.000566751	1.763764763 Hartree
42	RY*(4)C3	491	0.000534675	1.455216668 Hartree
43	RY*(5)C3	492	0.000316433	1.208804295 Hartree
44	RY*(6)C3	493	0.000199684	2.165392537 Hartree
45	RY*(7)C3	494	0.000040559	2.594573146 Hartree
46	RY*(8)C3	495	0.000014053	4.143832443 Hartree
47	RY*(9)C3	496	0.000009432	2.557010744 Hartree
48	RY*(10)C3	497	0.000000000	2.131911762 Hartree
49	RY*(1)C4	498	0.006591356	1.090042023 Hartree
50	RY*(2)C4	499	0.003408183	1.079837024 Hartree
51	RY*(3)C4	500	0.000566751	1.763764763 Hartree
52	RY*(4)C4	501	0.000534675	1.455216668 Hartree
53	RY*(5)C4	502	0.000316433	1.208804295 Hartree
54	RY*(6)C4	503	0.000199684	2.165392537 Hartree
55	RY*(7)C4	504	0.000040559	2.594573146 Hartree
56	RY*(8)C4	505	0.000014053	4.143832443 Hartree
57	RY*(9)C4	506	0.000009432	2.557010744 Hartree
58	RY*(10)C4	507	0.000000000	2.131911762 Hartree
59	RY*(1)N5	508	0.002880455	0.971518699 Hartree
60	RY*(2)N5	509	0.002148588	1.046361795 Hartree
61	RY*(3)N5	510	0.001719305	1.092855971 Hartree
62	RY*(4)N5	511	0.000581007	2.429185951 Hartree
63	RY*(5)N5	512	0.000170314	2.191182308 Hartree
64	RY*(6)N5	513	0.000112561	1.922625814 Hartree
65	RY*(7)N5	514	0.000101182	2.188780695 Hartree
66	RY*(8)N5	515	0.000012888	2.201390343 Hartree
67	RY*(9)N5	516	0.000000865	4.069784741 Hartree
68	RY*(10)N5	517	0.000000000	2.140527160 Hartree
69	RY*(1)H6	518	0.000277388	0.644152851 Hartree
70	RY*(1)H7	519	0.000277388	0.644152851 Hartree
71	RY*(1)H8	520	0.001239474	0.677634662 Hartree
72	RY*(1)H9	521	0.001239474	0.677634662 Hartree
73	BD*(1)N1-N2		0.034448776	0.418883266 Hartree
74	BD*(1)N1-N5		0.034448776	0.418883266 Hartree
75	BD*(1)N1-H8		0.010385848	0.638605668 Hartree
76	BD*(1)N1-H9		0.010385848	0.638605668 Hartree
77	BD*(1)N2-C3		0.005985484	0.792398797 Hartree
78	BD*(2)N2-C3		0.061229176	0.137025410 Hartree
79	BD*(1)C3-C4		0.029353313	0.647855119 Hartree
80	BD*(1)C3-H7		0.010099808	0.719621681 Hartree
81	BD*(1)C4-N5		0.005985484	0.792398797 Hartree
82	BD*(2)C4-N5		0.061229176	0.137025410 Hartree
83	BD*(1)C4-H6		0.010099808	0.719621681 Hartree

SOME PHYSICISTS WOULD PREFER TO COME BACK TO THE IDEA OF AN OBJECTIVE REAL WORLD WHOSE SMALLEST PARTS EXIST OBJECTIVELY IN THE SAME SENSE AS STONES OR TREES EXIST INDEPENDENTLY OF WHETHER WE OBSERVE THEM. THIS, HOWEVER, IS IMPOSSIBLE. -- WERNER HEISENBERG