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	hartrees
Energy at 0K	-150.800661
Energy at 298.15K	-150.808697
HF Energy	-150.261418
Counterpoise corrected energy	-150.800661
CP Energy at 298.15K	-150.808697
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.053413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3563	3369	0.63
2	A₁	3131	2960	34.52
3	A₁	1713	1619	66.09
4	A₁	1540	1456	0.00
5	A₁	1118	1057	42.12
6	A₁	881	833	4.51
7	A₁	463	438	3.33
8	A₂	3663	3463	0.00
9	A₂	1426	1348	0.00
10	A₂	1090	1031	0.00
11	A₂	266	252	0.00
12	B₁	3662	3462	1.41
13	B₁	3186	3012	28.84
14	B₁	1404	1327	0.05
15	B₁	862	815	1.59
16	B₁	399	377	104.28
17	B₂	3563	3369	1.07
18	B₂	1704	1611	4.44
19	B₂	1429	1351	29.38
20	B₂	1119	1058	97.95
21	B₂	814	769	418.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.261	-0.186
N3	0.000	-1.261	-0.186
H4	0.880	0.000	1.198
H5	-0.880	0.000	1.198
H6	0.819	1.336	-0.780
H7	-0.819	1.336	-0.780
H8	-0.819	-1.336	-0.780
H9	0.819	-1.336	-0.780

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4621	1.4621	1.0904	1.0904	2.0576	2.0576	2.0576	2.0576
N2	1.4621		2.5224	2.0686	2.0686	1.0144	1.0144	2.7872	2.7872
N3	1.4621	2.5224		2.0686	2.0686	2.7872	2.7872	1.0144	1.0144
H4	1.0904	2.0686	2.0686		1.7600	2.3871	2.9294	2.9294	2.3871
H5	1.0904	2.0686	2.0686	1.7600		2.9294	2.3871	2.3871	2.9294
H6	2.0576	1.0144	2.7872	2.3871	2.9294		1.6382	3.1342	2.6719
H7	2.0576	1.0144	2.7872	2.9294	2.3871	1.6382		2.6719	3.1342
H8	2.0576	2.7872	1.0144	2.9294	2.3871	3.1342	2.6719		1.6382
H9	2.0576	2.7872	1.0144	2.3871	2.9294	2.6719	3.1342	1.6382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.081	C1	N2	H7	111.081
C1	N3	H8	111.081	C1	N3	H9	111.081
N2	C1	N3	119.219	N2	C1	H4	107.382
N2	C1	H5	107.382	N3	C1	H4	107.382
N3	C1	H5	107.382	H4	C1	H5	107.609
H6	N2	H7	107.698	H8	N3	H9	107.698

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)