WebMO Job Summary

Quantity	Value
Route	#N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) SCRF=(PCM,Solvent=Water)
Stoichiometry	H2O
Symmetry	C2V
Basis	6-31G(d)
RHF Energy	-76.0179536411 Hartree
MP2 Energy	-76.204925735989 Hartree
Dipole Moment	2.4676 Debye
Server	batch (360090)
CPU time	1.7 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	777.1600916	25.92327027787
b	433.6821320	14.46607879642
c	278.3520750	9.28482580439

Atom	Symbol	Charge
1	O	-0.914012
2	H	0.457006
3	H	0.457006

Display Range		- / 19
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-20.56420 Hartree
2	A1	2	-1.33706 Hartree
3	B2	2	-0.69764 Hartree
4	A1	2	-0.57724 Hartree
5	B1	2	-0.50145 Hartree
6	A1	0	0.22199 Hartree
7	B2	0	0.31563 Hartree
8	B2	0	1.01037 Hartree
9	A1	0	1.12113 Hartree
10	B1	0	1.16103 Hartree
11	A1	0	1.16229 Hartree
12	B2	0	1.37332 Hartree
13	A1	0	1.44228 Hartree
14	A1	0	2.01381 Hartree
15	A2	0	2.03279 Hartree
16	B1	0	2.06223 Hartree
17	A1	0	2.60307 Hartree
18	B2	0	2.91927 Hartree
19	A1	0	3.95729 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	O	-0.99700
2	H	0.49850
3	H	0.49850

Display Range		- / 19
Orbital	Description	Occupancy	Energy	Actions
1	O1 Cor(1S)	1.999922400	-20.409047996 Hartree
2	O1 Val(2S)	1.764319382	-1.166210221 Hartree
3	O1 Ryd(3S)	0.001193137	1.451793264 Hartree
4	O1 Ryd(4S)	0.000000000	3.894707399 Hartree
5	O1 Val(2p)	1.997688566	-0.498690674 Hartree
6	O1 Ryd(3p)	0.000420412	1.160817433 Hartree
7	O1 Val(2p)	1.487971367	-0.330527940 Hartree
8	O1 Ryd(3p)	0.001732986	1.304608374 Hartree
9	O1 Val(2p)	1.735627964	-0.426606866 Hartree
10	O1 Ryd(3p)	0.000280457	1.195133087 Hartree
11	O1 Ryd(3d)	0.000000000	2.032790386 Hartree
12	O1 Ryd(3d)	0.001891022	2.059685578 Hartree
13	O1 Ryd(3d)	0.003095490	2.867158890 Hartree
14	O1 Ryd(3d)	0.000720029	2.440609793 Hartree
15	O1 Ryd(3d)	0.002141783	2.025914585 Hartree
16	H2 Val(1S)	0.500865497	0.327419111 Hartree
17	H2 Ryd(2S)	0.000632006	0.730961701 Hartree
18	H3 Val(1S)	0.500865497	0.327419111 Hartree
19	H3 Ryd(2S)	0.000632006	0.730961701 Hartree

Display Range		- / 19
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)O1(H2) 1s(23.73%)p3.21(76.11%)d0.01(0.16%)	1.498785340	-0.518937837 Hartree
2	BD(1)H2(O1) 2s(100.00%)	0.500865444	0.327662713 Hartree
3	BD(1)O1(H3) 1s(23.73%)p3.21(76.11%)d0.01(0.16%)	1.498785340	-0.518937837 Hartree
4	BD(1)H3(O1) 3s(100.00%)	0.500865444	0.327662713 Hartree
5	CR(1)O1 s(100.00%)	1.999922406	-20.408838238 Hartree
6	LP(1)O1 s(0.00%)p1.00(99.91%)d0.00(0.09%)	2.000000000	-0.501454472 Hartree
7	LP(2)O1 s(52.59%)p0.90(47.36%)d0.00(0.06%)	1.999506060	-0.878678708 Hartree
8	RY*(1)O1 s(99.93%)p0.00(0.07%)d0.00(0.00%)	0.000000000	1.450737924 Hartree
9	RY*(2)O1 s(100.00%)	0.000000000	3.894707399 Hartree
10	RY*(3)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	1.161166926 Hartree
11	RY*(4)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	1.302027841 Hartree
12	RY*(5)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000001344	1.195521319 Hartree
13	RY*(6)O1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	2.032790386 Hartree
14	RY*(7)O1 s(0.00%)p1.00(0.09%)d99.99(99.91%)	0.000000000	2.062099882 Hartree
15	RY*(8)O1 s(0.00%)p1.00(0.21%)d99.99(99.79%)	0.000000000	2.863373189 Hartree
16	RY*(9)O1 s(0.03%)p0.76(0.02%)d99.99(99.95%)	0.000004505	2.437787922 Hartree
17	RY*(10)O1 s(0.00%)p1.00(0.12%)d99.99(99.88%)	0.000000000	2.028769395 Hartree
18	RY*(1)H2 s(100.00%)	0.000632059	0.730718099 Hartree
19	RY*(1)H3 s(100.00%)	0.000632059	0.730718099 Hartree

Display Range		- / 19
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)O1-H2	392, 393	1.999626713	-0.943546558 Hartree
2	BD(1)O1-H3	394, 395	1.999626713	-0.943546558 Hartree
3	CR(1)O1	396	1.999922406	-20.408838238 Hartree
4	LP(1)O1	397	2.000000000	-0.501454472 Hartree
5	LP(2)O1	398	1.999506060	-0.878678708 Hartree
6	RY*(1)O1	399	0.000000000	1.450737924 Hartree
7	RY*(2)O1	400	0.000000000	3.894707399 Hartree
8	RY*(3)O1	401	0.000000000	1.161166926 Hartree
9	RY*(4)O1	402	0.000000000	1.302027841 Hartree
10	RY*(5)O1	403	0.000001344	1.195521319 Hartree
11	RY*(6)O1	404	0.000000000	2.032790386 Hartree
12	RY*(7)O1	405	0.000000000	2.062099882 Hartree
13	RY*(8)O1	406	0.000000000	2.863373189 Hartree
14	RY*(9)O1	407	0.000004505	2.437787922 Hartree
15	RY*(10)O1	408	0.000000000	2.028769395 Hartree
16	RY*(1)H2	409	0.000632059	0.730718099 Hartree
17	RY*(1)H3	410	0.000632059	0.730718099 Hartree
18	BD*(1)O1-H2		0.000024070	0.752271435 Hartree
19	BD*(1)O1-H3		0.000024070	0.752271435 Hartree

THERE IS NO SUBJECT, HOWEVER COMPLEX, WHICH, IF STUDIED WITH PATIENCE AND INTELLIGIENCE WILL NOT BECOME MORE COMPLEX QUOTED BY D. GORDON ROHMAN