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	hartrees
Energy at 0K	-150.727541
Energy at 298.15K	-150.735651
HF Energy	-150.235466
Counterpoise corrected energy	-150.727541
CP Energy at 298.15K	-150.735651
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.002568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3490	3304	2.14
2	A₁	3106	2939	37.22
3	A₁	1735	1642	50.54
4	A₁	1546	1463	0.16
5	A₁	1161	1099	36.88
6	A₁	921	871	0.00
7	A₁	468	443	7.65
8	A₂	3583	3392	0.00
9	A₂	1432	1355	0.00
10	A₂	1102	1043	0.00
11	A₂	291	275	0.00
12	B₁	3582	3390	0.66
13	B₁	3157	2988	27.58
14	B₁	1420	1344	0.34
15	B₁	872	825	0.93
16	B₁	415	392	114.79
17	B₂	3491	3304	0.02
18	B₂	1726	1633	1.85
19	B₂	1428	1352	23.41
20	B₂	1137	1076	58.45
21	B₂	869	823	432.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.557
N2	0.000	1.261	-0.184
N3	0.000	-1.261	-0.184
H4	0.882	0.000	1.208
H5	-0.882	0.000	1.208
H6	0.817	1.304	-0.794
H7	-0.817	1.304	-0.794
H8	-0.817	-1.304	-0.794
H9	0.817	-1.304	-0.794

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4628	1.4628	1.0956	1.0956	2.0482	2.0482	2.0482	2.0482
N2	1.4628		2.5218	2.0748	2.0748	1.0203	1.0203	2.7603	2.7603
N3	1.4628	2.5218		2.0748	2.0748	2.7603	2.7603	1.0203	1.0203
H4	1.0956	2.0748	2.0748		1.7634	2.3903	2.9315	2.9315	2.3903
H5	1.0956	2.0748	2.0748	1.7634		2.9315	2.3903	2.3903	2.9315
H6	2.0482	1.0203	2.7603	2.3903	2.9315		1.6334	3.0778	2.6086
H7	2.0482	1.0203	2.7603	2.9315	2.3903	1.6334		2.6086	3.0778
H8	2.0482	2.7603	1.0203	2.9315	2.3903	3.0778	2.6086		1.6334
H9	2.0482	2.7603	1.0203	2.3903	2.9315	2.6086	3.0778	1.6334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.864	C1	N2	H7	109.864
C1	N3	H8	109.864	C1	N3	H9	109.864
N2	C1	N3	119.077	N2	C1	H4	107.515
N2	C1	H5	107.515	N3	C1	H4	107.515
N3	C1	H5	107.515	H4	C1	H5	107.169
H6	N2	H7	106.341	H8	N3	H9	106.341

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)