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	hartrees
Energy at 0K	-150.436821
Energy at 298.15K	-150.444699
HF Energy	-150.436821
Nuclear repulsion energy	83.245182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3440	3389	0.08
2	A₁	2990	2945	29.45
3	A₁	1598	1574	74.25
4	A₁	1412	1391	1.06
5	A₁	1076	1060	30.75
6	A₁	783	771	25.08
7	A₁	450	443	0.32
8	A₂	3545	3492	0.00
9	A₂	1334	1314	0.00
10	A₂	1023	1008	0.00
11	A₂	262	258	0.00
12	B₁	3542	3489	9.79
13	B₁	3040	2994	19.04
14	B₁	1307	1287	0.02
15	B₁	812	800	0.02
16	B₁	406	400	95.45
17	B₂	3442	3391	1.28
18	B₂	1588	1564	8.22
19	B₂	1325	1306	18.18
20	B₂	1107	1090	137.89
21	B₂	663	654	480.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.538
N2	0.000	1.251	-0.183
N3	0.000	-1.251	-0.183
H4	0.884	0.000	1.202
H5	-0.884	0.000	1.202
H6	0.832	1.362	-0.770
H7	-0.832	1.362	-0.770
H8	-0.832	-1.362	-0.770
H9	0.832	-1.362	-0.770

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4435	1.4435	1.1052	1.1052	2.0636	2.0636	2.0636	2.0636
N2	1.4435		2.5012	2.0646	2.0646	1.0242	1.0242	2.8041	2.8041
N3	1.4435	2.5012		2.0646	2.0646	2.8041	2.8041	1.0242	1.0242
H4	1.1052	2.0646	2.0646		1.7670	2.3973	2.9473	2.9473	2.3973
H5	1.1052	2.0646	2.0646	1.7670		2.9473	2.3973	2.3973	2.9473
H6	2.0636	1.0242	2.8041	2.3973	2.9473		1.6634	3.1921	2.7244
H7	2.0636	1.0242	2.8041	2.9473	2.3973	1.6634		2.7244	3.1921
H8	2.0636	2.8041	1.0242	2.9473	2.3973	3.1921	2.7244		1.6634
H9	2.0636	2.8041	1.0242	2.3973	2.9473	2.7244	3.1921	1.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.377	C1	N2	H7	112.377
C1	N3	H8	112.377	C1	N3	H9	112.377
N2	C1	N3	120.074	N2	C1	H4	107.461
N2	C1	H5	107.461	N3	C1	H4	107.461
N3	C1	H5	107.461	H4	C1	H5	106.148
H6	N2	H7	108.602	H8	N3	H9	108.602

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/6-31+G**

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	-0.321
2	N	-0.631
3	N	-0.631
4	H	0.181
5	H	0.181
6	H	0.305
7	H	0.305
8	H	0.305
9	H	0.305

<r²>	54.237
(<r²>)^1/2	7.365

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)