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	hartrees
Energy at 0K	-150.943181
Energy at 298.15K	-150.951224
HF Energy	-150.305653
Counterpoise corrected energy	-150.943181
CP Energy at 298.15K	-150.951224
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.423348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3535	3301	0.41
2	A₁	3093	2888	35.09
3	A₁	1690	1578	41.57
4	A₁	1520	1419	0.03
5	A₁	1130	1056	35.76
6	A₁	889	830	0.42
7	A₁	463	433	4.42
8	A₂	3622	3382	0.00
9	A₂	1424	1329	0.00
10	A₂	1091	1019	0.00
11	A₂	263	245	0.00
12	B₁	3621	3380	0.84
13	B₁	3138	2930	24.40
14	B₁	1396	1304	0.40
15	B₁	864	806	0.90
16	B₁	385	360	86.16
17	B₂	3535	3301	1.84
18	B₂	1680	1569	4.56
19	B₂	1415	1321	21.37
20	B₂	1124	1050	68.63
21	B₂	833	778	378.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.255	-0.185
N3	0.000	-1.255	-0.185
H4	0.875	0.000	1.203
H5	-0.875	0.000	1.203
H6	0.810	1.302	-0.788
H7	-0.810	1.302	-0.788
H8	-0.810	-1.302	-0.788
H9	0.810	-1.302	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4573	1.4573	1.0890	1.0890	2.0394	2.0394	2.0394	2.0394
N2	1.4573		2.5102	2.0662	2.0662	1.0113	1.0113	2.7499	2.7499
N3	1.4573	2.5102		2.0662	2.0662	2.7499	2.7499	1.0113	1.0113
H4	1.0890	2.0662	2.0662		1.7509	2.3808	2.9163	2.9163	2.3808
H5	1.0890	2.0662	2.0662	1.7509		2.9163	2.3808	2.3808	2.9163
H6	2.0394	1.0113	2.7499	2.3808	2.9163		1.6200	3.0676	2.6050
H7	2.0394	1.0113	2.7499	2.9163	2.3808	1.6200		2.6050	3.0676
H8	2.0394	2.7499	1.0113	2.9163	2.3808	3.0676	2.6050		1.6200
H9	2.0394	2.7499	1.0113	2.3808	2.9163	2.6050	3.0676	1.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.099	C1	N2	H7	110.099
C1	N3	H8	110.099	C1	N3	H9	110.099
N2	C1	N3	118.916	N2	C1	H4	107.593
N2	C1	H5	107.593	N3	C1	H4	107.593
N3	C1	H5	107.593	H4	C1	H5	107.007
H6	N2	H7	106.452	H8	N3	H9	106.452

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)