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	hartrees
Energy at 0K	-148.499970
Energy at 298.15K	-148.507927
HF Energy	-148.343643
Counterpoise corrected energy	-148.499970
CP Energy at 298.15K	-148.507927
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.839858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3581	3183	32.39
2	A₁	3405	3027	5.36
3	A₁	1919	1706	3.64
4	A₁	1678	1492	0.39
5	A₁	1309	1164	3.45
6	A₁	982	873	5.40
7	A₁	453	403	16.62
8	A₂	3770	3351	0.00
9	A₂	1542	1371	0.00
10	A₂	1207	1073	0.00
11	A₂	294	262	0.00
12	B₁	3770	3351	34.67
13	B₁	3524	3132	0.83
14	B₁	1548	1376	2.58
15	B₁	918	816	2.17
16	B₁	379	337	107.46
17	B₂	3582	3184	1.18
18	B₂	1919	1706	2.05
19	B₂	1511	1343	28.08
20	B₂	1215	1080	2.17
21	B₂	1059	942	159.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.596
N2	0.000	1.299	-0.189
N3	0.000	-1.299	-0.189
H4	0.901	0.000	1.243
H5	-0.901	0.000	1.243
H6	0.822	1.214	-0.853
H7	-0.822	1.214	-0.853
H8	-0.822	-1.214	-0.853
H9	0.822	-1.214	-0.853

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.5175	1.5175	1.1098	1.1098	2.0609	2.0609	2.0609	2.0609
N2	1.5175		2.5975	2.1333	2.1333	1.0599	1.0599	2.7256	2.7256
N3	1.5175	2.5975		2.1333	2.1333	2.7256	2.7256	1.0599	1.0599
H4	1.1098	2.1333	2.1333		1.8025	2.4234	2.9727	2.9727	2.4234
H5	1.1098	2.1333	2.1333	1.8025		2.9727	2.4234	2.4234	2.9727
H6	2.0609	1.0599	2.7256	2.4234	2.9727		1.6442	2.9321	2.4276
H7	2.0609	1.0599	2.7256	2.9727	2.4234	1.6442		2.4276	2.9321
H8	2.0609	2.7256	1.0599	2.9727	2.4234	2.9321	2.4276		1.6442
H9	2.0609	2.7256	1.0599	2.4234	2.9727	2.4276	2.9321	1.6442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	104.788	C1	N2	H7	104.788
C1	N3	H8	104.788	C1	N3	H9	104.788
N2	C1	N3	117.702	N2	C1	H4	107.568
N2	C1	H5	107.568	N3	C1	H4	107.568
N3	C1	H5	107.568	H4	C1	H5	108.604
H6	N2	H7	101.734	H8	N3	H9	101.734

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)