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	hartrees
Energy at 0K	-150.787960
Energy at 298.15K	-150.796072
HF Energy	-150.272357
Counterpoise corrected energy	-150.787960
CP Energy at 298.15K	-150.796072
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.132402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3527	3369	4.13
2	A₁	3084	2946	39.64
3	A₁	1755	1676	67.18
4	A₁	1520	1452	0.65
5	A₁	1158	1106	39.15
6	A₁	925	883	0.19
7	A₁	468	447	5.92
8	A₂	3616	3453	0.00
9	A₂	1433	1369	0.00
10	A₂	1109	1059	0.00
11	A₂	278	266	0.00
12	B₁	3614	3452	1.06
13	B₁	3134	2993	29.71
14	B₁	1422	1359	0.63
15	B₁	865	826	1.22
16	B₁	416	397	108.17
17	B₂	3527	3369	0.00
18	B₂	1744	1665	2.04
19	B₂	1425	1361	24.74
20	B₂	1133	1082	68.20
21	B₂	871	832	451.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.260	-0.185
N3	0.000	-1.260	-0.185
H4	0.881	0.000	1.205
H5	-0.881	0.000	1.205
H6	0.817	1.313	-0.784
H7	-0.817	1.313	-0.784
H8	-0.817	-1.313	-0.784
H9	0.817	-1.313	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4613	1.4613	1.0949	1.0949	2.0454	2.0454	2.0454	2.0454
N2	1.4613		2.5209	2.0728	2.0728	1.0142	1.0142	2.7660	2.7660
N3	1.4613	2.5209		2.0728	2.0728	2.7660	2.7660	1.0142	1.0142
H4	1.0949	2.0728	2.0728		1.7614	2.3844	2.9261	2.9261	2.3844
H5	1.0949	2.0728	2.0728	1.7614		2.9261	2.3844	2.3844	2.9261
H6	2.0454	1.0142	2.7660	2.3844	2.9261		1.6334	3.0933	2.6268
H7	2.0454	1.0142	2.7660	2.9261	2.3844	1.6334		2.6268	3.0933
H8	2.0454	2.7660	1.0142	2.9261	2.3844	3.0933	2.6268		1.6334
H9	2.0454	2.7660	1.0142	2.3844	2.9261	2.6268	3.0933	1.6334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.116	C1	N2	H7	110.116
C1	N3	H8	110.116	C1	N3	H9	110.116
N2	C1	N3	119.203	N2	C1	H4	107.496
N2	C1	H5	107.496	N3	C1	H4	107.496
N3	C1	H5	107.496	H4	C1	H5	107.099
H6	N2	H7	107.269	H8	N3	H9	107.269

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)