WebMO Job Summary

Quantity	Value
Route	#N PBE1PBE/6-31G(d) OPT=(TS,NoEigenTest,NewEstmFC) Geom=Connectivity F
Stoichiometry	H6N2
Symmetry	C1
Basis	6-31G(d)
RPBE1PBE Energy	-112.777179169 Hartree
ZPE	0.063570 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-112.708635 Hartree
Enthalpy	-112.707691 Hartree
Free Energy	-112.738420 Hartree
Cv	15.570 cal/mol-K
Entropy	64.674 cal/mol-K
Dipole Moment	4.0210 Debye
Server	batch (389486)
CPU time	132.5 sec

Step	Energy
0	-112.777179137
1	-112.774774576
2	-112.775228591
3	-112.775521283
4	-112.776247783
5	-112.776775686
6	-112.778048245
7	-112.772198344
8	-112.778648291
9	-112.766417764
10	-112.772780257
11	-112.777250161
12	-112.775940011
13	-112.776265374
14	-112.776339393
15	-112.776605913
16	-112.776828639
17	-112.776870152
18	-112.777038938
19	-112.777129663
20	-112.777046420
21	-112.777169833
22	-112.777166609
23	-112.777178998
24	-112.777179169
25	-112.777179169
26	-112.777179169
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	124.23116	4.14390544808
b	11.10693	0.37048730559
c	10.94815	0.36519097488

Atom	Symbol	Charge
1	N	-0.601097
2	H	0.276995
3	N	-0.844639
4	H	0.355447
5	H	0.375761
6	H	0.359105
7	H	-0.033847
8	H	0.112276

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	-972.1921	405.9733
2	A	132.2628	20.3342
3	A	220.4722	85.9380
4	A	436.9198	39.4350
5	A	466.8694	52.4097
6	A	571.8541	3.3649
7	A	675.1034	7.5785
8	A	865.9168	4.6482
9	A	1122.0618	87.7891
10	A	1185.2395	28.0843
11	A	1429.0081	6.5632
12	A	1689.4138	33.7900
13	A	1707.8417	29.1968
14	A	3118.0789	196.3557
15	A	3410.7583	29.0336
16	A	3516.0430	10.8087
17	A	3661.0470	17.9572
18	A	3695.1444	32.9911
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

Everywhere is walking distance if you have the time. -- Steven Wright