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	hartrees
Energy at 0K	-150.947314
Energy at 298.15K	-150.955353
HF Energy	-150.305492
Counterpoise corrected energy	-150.947314
CP Energy at 298.15K	-150.955353
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.354091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3519	3363	0.87
2	A₁	3083	2946	36.24
3	A₁	1686	1611	39.93
4	A₁	1516	1449	0.01
5	A₁	1127	1077	34.08
6	A₁	886	847	0.18
7	A₁	461	441	4.60
8	A₂	3604	3444	0.00
9	A₂	1420	1356	0.00
10	A₂	1089	1040	0.00
11	A₂	263	251	0.00
12	B₁	3602	3442	0.28
13	B₁	3126	2986	25.60
14	B₁	1393	1331	0.49
15	B₁	861	823	1.02
16	B₁	387	369	85.03
17	B₂	3519	3363	1.69
18	B₂	1676	1601	3.74
19	B₂	1409	1347	21.61
20	B₂	1115	1065	67.29
21	B₂	834	797	381.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.257	-0.185
N3	0.000	-1.257	-0.185
H4	0.876	0.000	1.204
H5	-0.876	0.000	1.204
H6	0.810	1.301	-0.790
H7	-0.810	1.301	-0.790
H8	-0.810	-1.301	-0.790
H9	0.810	-1.301	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4588	1.4588	1.0896	1.0896	2.0400	2.0400	2.0400	2.0400
N2	1.4588		2.5133	2.0675	2.0675	1.0122	1.0122	2.7506	2.7506
N3	1.4588	2.5133		2.0675	2.0675	2.7506	2.7506	1.0122	1.0122
H4	1.0896	2.0675	2.0675		1.7528	2.3814	2.9175	2.9175	2.3814
H5	1.0896	2.0675	2.0675	1.7528		2.9175	2.3814	2.3814	2.9175
H6	2.0400	1.0122	2.7506	2.3814	2.9175		1.6208	3.0661	2.6027
H7	2.0400	1.0122	2.7506	2.9175	2.3814	1.6208		2.6027	3.0661
H8	2.0400	2.7506	1.0122	2.9175	2.3814	3.0661	2.6027		1.6208
H9	2.0400	2.7506	1.0122	2.3814	2.9175	2.6027	3.0661	1.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.974	C1	N2	H7	109.974
C1	N3	H8	109.974	C1	N3	H9	109.974
N2	C1	N3	118.952	N2	C1	H4	107.565
N2	C1	H5	107.565	N3	C1	H4	107.565
N3	C1	H5	107.565	H4	C1	H5	107.089
H6	N2	H7	106.372	H8	N3	H9	106.372

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)