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	hartrees
Energy at 0K	-149.403122
Energy at 298.15K	-149.411125
HF Energy	-149.403122
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.920357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3668	3311	0.02
2	A₁	3244	2928	49.60
3	A₁	1852	1672	43.60
4	A₁	1655	1494	0.97
5	A₁	1121	1012	98.36
6	A₁	788	711	49.85
7	A₁	472	426	0.36
8	A₂	3768	3401	0.00
9	A₂	1531	1382	0.00
10	A₂	1138	1027	0.00
11	A₂	277	250	0.00
12	B₁	3769	3402	0.53
13	B₁	3287	2967	37.49
14	B₁	1464	1322	0.33
15	B₁	896	809	0.17
16	B₁	421	380	116.27
17	B₂	3669	3312	0.46
18	B₂	1841	1662	7.24
19	B₂	1524	1375	7.51
20	B₂	1109	1001	65.92
21	B₂	641	579	603.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.259	-0.197
N3	0.000	-1.259	-0.197
H4	0.872	0.000	1.192
H5	-0.872	0.000	1.192
H6	0.830	1.420	-0.739
H7	-0.830	1.420	-0.739
H8	-0.830	-1.420	-0.739
H9	0.830	-1.420	-0.739

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4660	1.4660	1.0800	1.0800	2.0920	2.0920	2.0920	2.0920
N2	1.4660		2.5177	2.0671	2.0671	1.0042	1.0042	2.8560	2.8560
N3	1.4660	2.5177		2.0671	2.0671	2.8560	2.8560	1.0042	1.0042
H4	1.0800	2.0671	2.0671		1.7440	2.3966	2.9392	2.9392	2.3966
H5	1.0800	2.0671	2.0671	1.7440		2.9392	2.3966	2.3966	2.9392
H6	2.0920	1.0042	2.8560	2.3966	2.9392		1.6600	3.2889	2.8393
H7	2.0920	1.0042	2.8560	2.9392	2.3966	1.6600		2.8393	3.2889
H8	2.0920	2.8560	1.0042	2.9392	2.3966	3.2889	2.8393		1.6600
H9	2.0920	2.8560	1.0042	2.3966	2.9392	2.8393	3.2889	1.6600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.457	C1	N2	H7	114.457
C1	N3	H8	114.457	C1	N3	H9	114.457
N2	C1	N3	118.347	N2	C1	H4	107.598
N2	C1	H5	107.598	N3	C1	H4	107.598
N3	C1	H5	107.598	H4	C1	H5	107.687
H6	N2	H7	111.485	H8	N3	H9	111.485

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/3-21G*

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	-0.000
2	N	-0.807
3	N	-0.807
4	H	0.227
5	H	0.227
6	H	0.290
7	H	0.290
8	H	0.290
9	H	0.290

<r²>	54.275
(<r²>)^1/2	7.367

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)