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	hartrees
Energy at 0K	-150.289222
Energy at 298.15K	-150.297397
HF Energy	-150.289222
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.853582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3714	3374	0.08
2	A₁	3203	2910	59.48
3	A₁	1803	1638	54.24
4	A₁	1621	1473	0.02
5	A₁	1175	1067	58.19
6	A₁	950	863	3.28
7	A₁	491	446	4.10
8	A₂	3793	3446	0.00
9	A₂	1516	1377	0.00
10	A₂	1149	1044	0.00
11	A₂	278	253	0.00
12	B₁	3793	3446	0.21
13	B₁	3240	2944	48.65
14	B₁	1485	1349	0.03
15	B₁	919	835	1.22
16	B₁	408	371	98.78
17	B₂	3714	3374	0.12
18	B₂	1798	1634	9.96
19	B₂	1517	1379	32.09
20	B₂	1175	1068	112.23
21	B₂	868	789	400.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.246	-0.187
N3	0.000	-1.246	-0.187
H4	0.871	0.000	1.199
H5	-0.871	0.000	1.199
H6	0.807	1.320	-0.775
H7	-0.807	1.320	-0.775
H8	-0.807	-1.320	-0.775
H9	0.807	-1.320	-0.775

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4501	1.4501	1.0838	1.0838	2.0392	2.0392	2.0392	2.0392
N2	1.4501		2.4923	2.0577	2.0577	1.0008	1.0008	2.7530	2.7530
N3	1.4501	2.4923		2.0577	2.0577	2.7530	2.7530	1.0008	1.0008
H4	1.0838	2.0577	2.0577		1.7421	2.3750	2.9074	2.9074	2.3750
H5	1.0838	2.0577	2.0577	1.7421		2.9074	2.3750	2.3750	2.9074
H6	2.0392	1.0008	2.7530	2.3750	2.9074		1.6144	3.0938	2.6392
H7	2.0392	1.0008	2.7530	2.9074	2.3750	1.6144		2.6392	3.0938
H8	2.0392	2.7530	1.0008	2.9074	2.3750	3.0938	2.6392		1.6144
H9	2.0392	2.7530	1.0008	2.3750	2.9074	2.6392	3.0938	1.6144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.290	C1	N2	H7	111.290
C1	N3	H8	111.290	C1	N3	H9	111.290
N2	C1	N3	118.483	N2	C1	H4	107.717
N2	C1	H5	107.717	N3	C1	H4	107.717
N3	C1	H5	107.717	H4	C1	H5	106.971
H6	N2	H7	107.515	H8	N3	H9	107.515

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.112
2	N	-0.498
3	N	-0.498
4	H	0.098
5	H	0.098
6	H	0.172
7	H	0.172
8	H	0.172
9	H	0.172

<r²>	53.076
(<r²>)^1/2	7.285

All results from a given calculation for NH2CH2NH2 (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)