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	hartrees
Energy at 0K	-150.301676
Energy at 298.15K	-150.309813
HF Energy	-150.301676
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.887647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3720	3380	0.11
2	A₁	3209	2916	52.25
3	A₁	1806	1641	62.31
4	A₁	1618	1471	0.08
5	A₁	1161	1055	62.86
6	A₁	928	843	8.80
7	A₁	491	446	2.78
8	A₂	3804	3457	0.00
9	A₂	1517	1378	0.00
10	A₂	1147	1042	0.00
11	A₂	269	244	0.00
12	B₁	3804	3456	1.63
13	B₁	3248	2951	43.60
14	B₁	1482	1347	0.10
15	B₁	918	834	1.10
16	B₁	397	361	100.42
17	B₂	3720	3380	1.13
18	B₂	1800	1635	12.82
19	B₂	1522	1383	33.07
20	B₂	1166	1059	117.75
21	B₂	840	763	414.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.552
N2	0.000	1.245	-0.188
N3	0.000	-1.245	-0.188
H4	0.870	0.000	1.196
H5	-0.870	0.000	1.196
H6	0.809	1.335	-0.767
H7	-0.809	1.335	-0.767
H8	-0.809	-1.335	-0.767
H9	0.809	-1.335	-0.767

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4487	1.4487	1.0821	1.0821	2.0442	2.0442	2.0442	2.0442
N2	1.4487		2.4899	2.0550	2.0550	0.9993	0.9993	2.7651	2.7651
N3	1.4487	2.4899		2.0550	2.0550	2.7651	2.7651	0.9993	0.9993
H4	1.0821	2.0550	2.0550		1.7403	2.3747	2.9080	2.9080	2.3747
H5	1.0821	2.0550	2.0550	1.7403		2.9080	2.3747	2.3747	2.9080
H6	2.0442	0.9993	2.7651	2.3747	2.9080		1.6190	3.1223	2.6698
H7	2.0442	0.9993	2.7651	2.9080	2.3747	1.6190		2.6698	3.1223
H8	2.0442	2.7651	0.9993	2.9080	2.3747	3.1223	2.6698		1.6190
H9	2.0442	2.7651	0.9993	2.3747	2.9080	2.6698	3.1223	1.6190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.936	C1	N2	H7	111.936
C1	N3	H8	111.936	C1	N3	H9	111.936
N2	C1	N3	118.495	N2	C1	H4	107.698
N2	C1	H5	107.698	N3	C1	H4	107.698
N3	C1	H5	107.698	H4	C1	H5	107.042
H6	N2	H7	108.209	H8	N3	H9	108.209

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/TZVP

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	-0.044
2	N	-0.430
3	N	-0.430
4	H	0.098
5	H	0.098
6	H	0.177
7	H	0.177
8	H	0.177
9	H	0.177

<r²>	53.262
(<r²>)^1/2	7.298

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)