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	hartrees
Energy at 0K	-151.061876
Energy at 298.15K
HF Energy	-151.061876
Nuclear repulsion energy	83.251800

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
N2	0.000	1.256	-0.184
N3	0.000	-1.256	-0.184
H4	0.879	0.000	1.199
H5	-0.879	0.000	1.199
H6	0.821	1.349	-0.773
H7	-0.821	1.349	-0.773
H8	-0.821	-1.349	-0.773
H9	0.821	-1.349	-0.773

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4530	1.4530	1.0948	1.0948	2.0573	2.0573	2.0573	2.0573
N2	1.4530		2.5129	2.0647	2.0647	1.0143	1.0143	2.7944	2.7944
N3	1.4530	2.5129		2.0647	2.0647	2.7944	2.7944	1.0143	1.0143
H4	1.0948	2.0647	2.0647		1.7576	2.3897	2.9318	2.9318	2.3897
H5	1.0948	2.0647	2.0647	1.7576		2.9318	2.3897	2.3897	2.9318
H6	2.0573	1.0143	2.7944	2.3897	2.9318		1.6412	3.1580	2.6980
H7	2.0573	1.0143	2.7944	2.9318	2.3897	1.6412		2.6980	3.1580
H8	2.0573	2.7944	1.0143	2.9318	2.3897	3.1580	2.6980		1.6412
H9	2.0573	2.7944	1.0143	2.3897	2.9318	2.6980	3.1580	1.6412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.748	C1	N2	H7	111.748
C1	N3	H8	111.748	C1	N3	H9	111.748
N2	C1	N3	119.700	N2	C1	H4	107.430
N2	C1	H5	107.430	N3	C1	H4	107.430
N3	C1	H5	107.430	H4	C1	H5	106.780
H6	N2	H7	108.003	H8	N3	H9	108.003

Number	Element	Mulliken
1	C	-0.237
2	N	-0.629
3	N	-0.629
4	H	0.162
5	H	0.162
6	H	0.293
7	H	0.293
8	H	0.293
9	H	0.293

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/6-31+G**

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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<r²>	54.133
(<r²>)^1/2	7.357

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)