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	hartrees
Energy at 0K	-151.102611
Energy at 298.15K
HF Energy	-151.102611
Nuclear repulsion energy	82.751253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3567	3416	0.48
2	A₁	3081	2950	51.74
3	A₁	1714	1641	48.38
4	A₁	1514	1450	2.98
5	A₁	1077	1031	66.88
6	A₁	666	638	117.94
7	A₁	454	435	6.02
8	A₂	3693	3537	0.00
9	A₂	1411	1351	0.00
10	A₂	1060	1015	0.00
11	A₂	247	236	0.00
12	B₁	3693	3537	1.20
13	B₁	3135	3003	33.90
14	B₁	1357	1300	1.02
15	B₁	840	804	1.97
16	B₁	417	400	93.05
17	B₂	3568	3418	0.01
18	B₂	1703	1631	14.48
19	B₂	1420	1360	6.67
20	B₂	1094	1048	128.77
21	B₂	460	440	614.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.539
N2	0.000	1.257	-0.197
N3	0.000	-1.257	-0.197
H4	0.879	0.000	1.192
H5	-0.879	0.000	1.192
H6	0.843	1.472	-0.713
H7	-0.843	1.472	-0.713
H8	-0.843	-1.472	-0.713
H9	0.843	-1.472	-0.713

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4570	1.4570	1.0949	1.0949	2.1085	2.1085	2.1085	2.1085
N2	1.4570		2.5146	2.0696	2.0696	1.0114	1.0114	2.9030	2.9030
N3	1.4570	2.5146		2.0696	2.0696	2.9030	2.9030	1.0114	1.0114
H4	1.0949	2.0696	2.0696		1.7571	2.4082	2.9600	2.9600	2.4082
H5	1.0949	2.0696	2.0696	1.7571		2.9600	2.4082	2.4082	2.9600
H6	2.1085	1.0114	2.9030	2.4082	2.9600		1.6860	3.3930	2.9445
H7	2.1085	1.0114	2.9030	2.9600	2.4082	1.6860		2.9445	3.3930
H8	2.1085	2.9030	1.0114	2.9600	2.4082	3.3930	2.9445		1.6860
H9	2.1085	2.9030	1.0114	2.4082	2.9600	2.9445	3.3930	1.6860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.175	C1	N2	H7	116.175
C1	N3	H8	116.175	C1	N3	H9	116.175
N2	C1	N3	119.300	N2	C1	H4	107.549
N2	C1	H5	107.549	N3	C1	H4	107.549
N3	C1	H5	107.549	H4	C1	H5	106.729
H6	N2	H7	112.913	H8	N3	H9	112.913

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3PW91/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.076
2	N	-0.724
3	N	-0.724
4	H	0.180
5	H	0.180
6	H	0.291
7	H	0.291
8	H	0.291
9	H	0.291

<r²>	54.561
(<r²>)^1/2	7.387

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)