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	hartrees
Energy at 0K	-150.779716
Energy at 298.15K	-150.787755
HF Energy	-150.261683
Counterpoise corrected energy	-150.779716
CP Energy at 298.15K	-150.787755
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.199916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3579	3361	0.00
2	A₁	3157	2965	30.65
3	A₁	1704	1600	72.24
4	A₁	1538	1444	0.07
5	A₁	1116	1048	43.14
6	A₁	869	816	7.81
7	A₁	464	436	2.58
8	A₂	3694	3469	0.00
9	A₂	1427	1340	0.00
10	A₂	1087	1021	0.00
11	A₂	271	254	0.00
12	B₁	3691	3467	6.88
13	B₁	3223	3027	24.12
14	B₁	1397	1312	0.02
15	B₁	862	810	0.95
16	B₁	408	383	105.12
17	B₂	3580	3362	1.53
18	B₂	1694	1591	5.03
19	B₂	1426	1339	25.79
20	B₂	1118	1050	107.83
21	B₂	793	744	446.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
N2	0.000	1.260	-0.185
N3	0.000	-1.260	-0.185
H4	0.878	0.000	1.192
H5	-0.878	0.000	1.192
H6	0.819	1.342	-0.775
H7	-0.819	1.342	-0.775
H8	-0.819	-1.342	-0.775
H9	0.819	-1.342	-0.775

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4581	1.4581	1.0881	1.0881	2.0559	2.0559	2.0559	2.0559
N2	1.4581		2.5192	2.0624	2.0624	1.0132	1.0132	2.7905	2.7905
N3	1.4581	2.5192		2.0624	2.0624	2.7905	2.7905	1.0132	1.0132
H4	1.0881	2.0624	2.0624		1.7568	2.3817	2.9243	2.9243	2.3817
H5	1.0881	2.0624	2.0624	1.7568		2.9243	2.3817	2.3817	2.9243
H6	2.0559	1.0132	2.7905	2.3817	2.9243		1.6389	3.1444	2.6836
H7	2.0559	1.0132	2.7905	2.9243	2.3817	1.6389		2.6836	3.1444
H8	2.0559	2.7905	1.0132	2.9243	2.3817	3.1444	2.6836		1.6389
H9	2.0559	2.7905	1.0132	2.3817	2.9243	2.6836	3.1444	1.6389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.317	C1	N2	H7	111.317
C1	N3	H8	111.317	C1	N3	H9	111.317
N2	C1	N3	119.500	N2	C1	H4	107.295
N2	C1	H5	107.295	N3	C1	H4	107.295
N3	C1	H5	107.295	H4	C1	H5	107.666
H6	N2	H7	107.953	H8	N3	H9	107.953

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)