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	hartrees
Energy at 0K	-150.783097
Energy at 298.15K	-150.791207
HF Energy	-150.253843
Counterpoise corrected energy	-150.783097
CP Energy at 298.15K	-150.791207
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.254834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3569	3346	2.00
2	A₁	3143	2947	41.64
3	A₁	1721	1614	42.55
4	A₁	1553	1456	0.02
5	A₁	1152	1080	36.64
6	A₁	912	855	0.08
7	A₁	468	439	7.30
8	A₂	3665	3436	0.00
9	A₂	1441	1351	0.00
10	A₂	1102	1033	0.00
11	A₂	288	270	0.00
12	B₁	3663	3435	0.63
13	B₁	3197	2997	30.88
14	B₁	1418	1330	0.30
15	B₁	871	817	1.49
16	B₁	414	388	106.18
17	B₂	3569	3347	0.01
18	B₂	1713	1606	2.60
19	B₂	1440	1350	26.88
20	B₂	1139	1068	59.85
21	B₂	853	800	408.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.259	-0.184
N3	0.000	-1.259	-0.184
H4	0.878	0.000	1.203
H5	-0.878	0.000	1.203
H6	0.812	1.302	-0.790
H7	-0.812	1.302	-0.790
H8	-0.812	-1.302	-0.790
H9	0.812	-1.302	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4605	1.4605	1.0901	1.0901	2.0413	2.0413	2.0413	2.0413
N2	1.4605		2.5175	2.0686	2.0686	1.0142	1.0142	2.7535	2.7535
N3	1.4605	2.5175		2.0686	2.0686	2.7535	2.7535	1.0142	1.0142
H4	1.0901	2.0686	2.0686		1.7555	2.3814	2.9193	2.9193	2.3814
H5	1.0901	2.0686	2.0686	1.7555		2.9193	2.3814	2.3814	2.9193
H6	2.0413	1.0142	2.7535	2.3814	2.9193		1.6241	3.0682	2.6031
H7	2.0413	1.0142	2.7535	2.9193	2.3814	1.6241		2.6031	3.0682
H8	2.0413	2.7535	1.0142	2.9193	2.3814	3.0682	2.6031		1.6241
H9	2.0413	2.7535	1.0142	2.3814	2.9193	2.6031	3.0682	1.6241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.842	C1	N2	H7	109.842
C1	N3	H8	109.842	C1	N3	H9	109.842
N2	C1	N3	119.054	N2	C1	H4	107.503
N2	C1	H5	107.503	N3	C1	H4	107.503
N3	C1	H5	107.503	H4	C1	H5	107.254
H6	N2	H7	106.393	H8	N3	H9	106.393

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

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/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)