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	hartrees
Energy at 0K	-151.050554
Energy at 298.15K	-151.058609
HF Energy	-151.050554
Nuclear repulsion energy	83.247175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3487	3354	2.44
2	A₁	3063	2947	44.96
3	A₁	1656	1593	31.78
4	A₁	1462	1407	0.20
5	A₁	1122	1080	30.34
6	A₁	891	857	0.41
7	A₁	456	439	5.64
8	A₂	3573	3436	0.00
9	A₂	1395	1342	0.00
10	A₂	1083	1041	0.00
11	A₂	274	263	0.00
12	B₁	3570	3434	0.09
13	B₁	3113	2994	28.28
14	B₁	1372	1320	1.21
15	B₁	853	820	0.17
16	B₁	413	397	86.48
17	B₂	3488	3355	0.07
18	B₂	1648	1585	2.42
19	B₂	1380	1327	28.16
20	B₂	1122	1079	78.86
21	B₂	819	788	376.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
N2	0.000	1.257	-0.180
N3	0.000	-1.257	-0.180
H4	0.882	0.000	1.210
H5	-0.882	0.000	1.210
H6	0.813	1.295	-0.798
H7	-0.813	1.295	-0.798
H8	-0.813	-1.295	-0.798
H9	0.813	-1.295	-0.798

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4535	1.4535	1.1024	1.1024	2.0381	2.0381	2.0381	2.0381
N2	1.4535		2.5141	2.0718	2.0718	1.0215	1.0215	2.7491	2.7491
N3	1.4535	2.5141		2.0718	2.0718	2.7491	2.7491	1.0215	1.0215
H4	1.1024	2.0718	2.0718		1.7646	2.3908	2.9299	2.9299	2.3908
H5	1.1024	2.0718	2.0718	1.7646		2.9299	2.3908	2.3908	2.9299
H6	2.0381	1.0215	2.7491	2.3908	2.9299		1.6256	3.0587	2.5910
H7	2.0381	1.0215	2.7491	2.9299	2.3908	1.6256		2.5910	3.0587
H8	2.0381	2.7491	1.0215	2.9299	2.3908	3.0587	2.5910		1.6256
H9	2.0381	2.7491	1.0215	2.3908	2.9299	2.5910	3.0587	1.6256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.637	C1	N2	H7	109.637
C1	N3	H8	109.637	C1	N3	H9	109.637
N2	C1	N3	119.733	N2	C1	H4	107.517
N2	C1	H5	107.517	N3	C1	H4	107.517
N3	C1	H5	107.517	H4	C1	H5	106.325
H6	N2	H7	105.439	H8	N3	H9	105.439

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.025
2	N	-0.213
3	N	-0.213
4	H	0.052
5	H	0.052
6	H	0.074
7	H	0.074
8	H	0.074
9	H	0.074

<r²>	53.289
(<r²>)^1/2	7.300

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)