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	hartrees
Energy at 0K	-150.273565
Energy at 298.15K	-150.281750
HF Energy	-150.273565
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.870557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3734	3377	1.78
2	A₁	3227	2918	64.04
3	A₁	1860	1682	68.14
4	A₁	1630	1474	0.10
5	A₁	1189	1076	58.71
6	A₁	968	875	1.55
7	A₁	493	445	4.68
8	A₂	3810	3445	0.00
9	A₂	1530	1384	0.00
10	A₂	1159	1049	0.00
11	A₂	276	250	0.00
12	B₁	3809	3445	0.66
13	B₁	3264	2952	53.33
14	B₁	1503	1359	0.03
15	B₁	921	833	1.52
16	B₁	413	374	110.27
17	B₂	3735	3378	0.16
18	B₂	1851	1674	6.93
19	B₂	1527	1381	36.69
20	B₂	1176	1063	116.21
21	B₂	892	806	436.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.247	-0.187
N3	0.000	-1.247	-0.187
H4	0.870	0.000	1.198
H5	-0.870	0.000	1.198
H6	0.806	1.321	-0.774
H7	-0.806	1.321	-0.774
H8	-0.806	-1.321	-0.774
H9	0.806	-1.321	-0.774

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4505	1.4505	1.0826	1.0826	2.0380	2.0380	2.0380	2.0380
N2	1.4505		2.4948	2.0567	2.0567	0.9993	0.9993	2.7546	2.7546
N3	1.4505	2.4948		2.0567	2.0567	2.7546	2.7546	0.9993	0.9993
H4	1.0826	2.0567	2.0567		1.7395	2.3737	2.9047	2.9047	2.3737
H5	1.0826	2.0567	2.0567	1.7395		2.9047	2.3737	2.3737	2.9047
H6	2.0380	0.9993	2.7546	2.3737	2.9047		1.6116	3.0940	2.6412
H7	2.0380	0.9993	2.7546	2.9047	2.3737	1.6116		2.6412	3.0940
H8	2.0380	2.7546	0.9993	2.9047	2.3737	3.0940	2.6412		1.6116
H9	2.0380	2.7546	0.9993	2.3737	2.9047	2.6412	3.0940	1.6116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.253	C1	N2	H7	111.253
C1	N3	H8	111.253	C1	N3	H9	111.253
N2	C1	N3	118.631	N2	C1	H4	107.690
N2	C1	H5	107.690	N3	C1	H4	107.690
N3	C1	H5	107.690	H4	C1	H5	106.911
H6	N2	H7	107.476	H8	N3	H9	107.476

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	-0.070
2	N	-0.809
3	N	-0.809
4	H	0.214
5	H	0.214
6	H	0.315
7	H	0.315
8	H	0.315
9	H	0.315

<r²>	53.199
(<r²>)^1/2	7.294

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)