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	hartrees
Energy at 0K	-150.815284
Energy at 298.15K	-150.823404
HF Energy	-150.272607
Counterpoise corrected energy	-150.815284
CP Energy at 298.15K	-150.823404
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.252397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3546	3358	1.90
2	A₁	3118	2953	38.23
3	A₁	1748	1655	71.41
4	A₁	1523	1442	0.88
5	A₁	1152	1091	39.86
6	A₁	914	866	0.75
7	A₁	468	443	5.27
8	A₂	3648	3455	0.00
9	A₂	1436	1360	0.00
10	A₂	1107	1048	0.00
11	A₂	284	269	0.00
12	B₁	3646	3453	0.01
13	B₁	3177	3009	27.76
14	B₁	1417	1342	0.68
15	B₁	867	821	0.82
16	B₁	429	406	108.07
17	B₂	3547	3359	0.11
18	B₂	1736	1644	1.86
19	B₂	1423	1348	21.27
20	B₂	1125	1066	71.67
21	B₂	850	805	491.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.551
N2	0.000	1.260	-0.184
N3	0.000	-1.260	-0.184
H4	0.879	0.000	1.198
H5	-0.879	0.000	1.198
H6	0.817	1.318	-0.780
H7	-0.817	1.318	-0.780
H8	-0.817	-1.318	-0.780
H9	0.817	-1.318	-0.780

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4586	1.4586	1.0918	1.0918	2.0433	2.0433	2.0433	2.0433
N2	1.4586		2.5196	2.0668	2.0668	1.0129	1.0129	2.7688	2.7688
N3	1.4586	2.5196		2.0668	2.0668	2.7688	2.7688	1.0129	1.0129
H4	1.0918	2.0668	2.0668		1.7581	2.3777	2.9202	2.9202	2.3777
H5	1.0918	2.0668	2.0668	1.7581		2.9202	2.3777	2.3777	2.9202
H6	2.0433	1.0129	2.7688	2.3777	2.9202		1.6346	3.1013	2.6355
H7	2.0433	1.0129	2.7688	2.9202	2.3777	1.6346		2.6355	3.1013
H8	2.0433	2.7688	1.0129	2.9202	2.3777	3.1013	2.6355		1.6346
H9	2.0433	2.7688	1.0129	2.3777	2.9202	2.6355	3.1013	1.6346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.226	C1	N2	H7	110.226
C1	N3	H8	110.226	C1	N3	H9	110.226
N2	C1	N3	119.468	N2	C1	H4	107.393
N2	C1	H5	107.393	N3	C1	H4	107.393
N3	C1	H5	107.393	H4	C1	H5	107.247
H6	N2	H7	107.587	H8	N3	H9	107.587

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/6-311G*

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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)