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	hartrees
Energy at 0K	-150.796767
Energy at 298.15K	-150.804809
HF Energy	-150.261570
Counterpoise corrected energy	-150.796767
CP Energy at 298.15K	-150.804809
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.135554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3581	3374	0.36
2	A₁	3143	2962	33.72
3	A₁	1718	1619	67.30
4	A₁	1545	1455	0.01
5	A₁	1124	1059	43.31
6	A₁	887	836	5.05
7	A₁	465	439	3.41
8	A₂	3682	3469	0.00
9	A₂	1431	1348	0.00
10	A₂	1094	1031	0.00
11	A₂	265	250	0.00
12	B₁	3680	3468	2.06
13	B₁	3199	3014	27.81
14	B₁	1408	1327	0.03
15	B₁	865	815	1.50
16	B₁	398	375	105.66
17	B₂	3581	3374	1.27
18	B₂	1709	1610	5.25
19	B₂	1436	1353	29.15
20	B₂	1131	1066	95.64
21	B₂	817	769	414.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.260	-0.186
N3	0.000	-1.260	-0.186
H4	0.879	0.000	1.198
H5	-0.879	0.000	1.198
H6	0.818	1.335	-0.779
H7	-0.818	1.335	-0.779
H8	-0.818	-1.335	-0.779
H9	0.818	-1.335	-0.779

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4605	1.4605	1.0898	1.0898	2.0558	2.0558	2.0558	2.0558
N2	1.4605		2.5192	2.0672	2.0672	1.0135	1.0135	2.7842	2.7842
N3	1.4605	2.5192		2.0672	2.0672	2.7842	2.7842	1.0135	1.0135
H4	1.0898	2.0672	2.0672		1.7579	2.3859	2.9274	2.9274	2.3859
H5	1.0898	2.0672	2.0672	1.7579		2.9274	2.3859	2.3859	2.9274
H6	2.0558	1.0135	2.7842	2.3859	2.9274		1.6366	3.1311	2.6693
H7	2.0558	1.0135	2.7842	2.9274	2.3859	1.6366		2.6693	3.1311
H8	2.0558	2.7842	1.0135	2.9274	2.3859	3.1311	2.6693		1.6366
H9	2.0558	2.7842	1.0135	2.3859	2.9274	2.6693	3.1311	1.6366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.110	C1	N2	H7	111.110
C1	N3	H8	111.110	C1	N3	H9	111.110
N2	C1	N3	119.185	N2	C1	H4	107.412
N2	C1	H5	107.412	N3	C1	H4	107.412
N3	C1	H5	107.412	H4	C1	H5	107.512
H6	N2	H7	107.689	H8	N3	H9	107.689

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)