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	hartrees
Energy at 0K	-151.217965
Energy at 298.15K	-151.225978
HF Energy	-151.217965
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.939415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3477	3341	3.83
2	A₁	3061	2941	43.92
3	A₁	1677	1611	35.74
4	A₁	1498	1440	0.03
5	A₁	1104	1060	35.54
6	A₁	862	828	0.64
7	A₁	455	438	5.66
8	A₂	3566	3426	0.00
9	A₂	1406	1351	0.00
10	A₂	1077	1034	0.00
11	A₂	272	262	0.00
12	B₁	3564	3425	1.41
13	B₁	3105	2983	30.65
14	B₁	1376	1322	0.31
15	B₁	852	818	0.28
16	B₁	410	394	98.15
17	B₂	3478	3341	0.15
18	B₂	1668	1602	2.15
19	B₂	1400	1345	22.56
20	B₂	1074	1032	65.23
21	B₂	792	761	440.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.552
N2	0.000	1.266	-0.183
N3	0.000	-1.266	-0.183
H4	0.880	0.000	1.204
H5	-0.880	0.000	1.204
H6	0.816	1.320	-0.790
H7	-0.816	1.320	-0.790
H8	-0.816	-1.320	-0.790
H9	0.816	-1.320	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4633	1.4633	1.0952	1.0952	2.0512	2.0512	2.0512	2.0512
N2	1.4633		2.5315	2.0732	2.0732	1.0182	1.0182	2.7788	2.7788
N3	1.4633	2.5315		2.0732	2.0732	2.7788	2.7788	1.0182	1.0182
H4	1.0952	2.0732	2.0732		1.7598	2.3918	2.9311	2.9311	2.3918
H5	1.0952	2.0732	2.0732	1.7598		2.9311	2.3918	2.3918	2.9311
H6	2.0512	1.0182	2.7788	2.3918	2.9311		1.6313	3.1039	2.6406
H7	2.0512	1.0182	2.7788	2.9311	2.3918	1.6313		2.6406	3.1039
H8	2.0512	2.7788	1.0182	2.9311	2.3918	3.1039	2.6406		1.6313
H9	2.0512	2.7788	1.0182	2.3918	2.9311	2.6406	3.1039	1.6313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.212	C1	N2	H7	110.212
C1	N3	H8	110.212	C1	N3	H9	110.212
N2	C1	N3	119.767	N2	C1	H4	107.382
N2	C1	H5	107.382	N3	C1	H4	107.382
N3	C1	H5	107.382	H4	C1	H5	106.918
H6	N2	H7	106.462	H8	N3	H9	106.462

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3LYP/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	0.023
2	N	-0.579
3	N	-0.579
4	H	0.116
5	H	0.116
6	H	0.226
7	H	0.226
8	H	0.226
9	H	0.226

<r²>	53.881
(<r²>)^1/2	7.340

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)