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	hartrees
Energy at 0K	-189.967249
Energy at 298.15K
HF Energy	-189.286483
Nuclear repulsion energy	131.848245

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.656	0.000
C2	-0.398	-0.656	0.000
N3	-0.398	1.881	0.000
N4	0.398	-1.881	0.000
H5	1.003	-1.899	0.811
H6	1.003	-1.899	-0.811
H7	-1.003	1.899	0.811
H8	-1.003	1.899	-0.811
H9	-1.052	-0.674	-0.875
H10	-1.052	-0.674	0.875
H11	1.052	0.674	-0.875
H12	1.052	0.674	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5349	1.4608	2.5374	2.7479	2.7479	2.0404	2.0404	2.1536	2.1536	1.0924	1.0924
C2	1.5349		2.5374	1.4608	2.0404	2.0404	2.7479	2.7479	1.0924	1.0924	2.1536	2.1536
N3	1.4608	2.5374		3.8456	4.1117	4.1117	1.0121	1.0121	2.7791	2.7791	2.0794	2.0794
N4	2.5374	1.4608	3.8456		1.0121	1.0121	4.1117	4.1117	2.0794	2.0794	2.7791	2.7791
H5	2.7479	2.0404	4.1117	1.0121		1.6228	4.2940	4.5905	2.9263	2.3924	3.0766	2.5741
H6	2.7479	2.0404	4.1117	1.0121	1.6228		4.5905	4.2940	2.3924	2.9263	2.5741	3.0766
H7	2.0404	2.7479	1.0121	4.1117	4.2940	4.5905		1.6228	3.0766	2.5741	2.9263	2.3924
H8	2.0404	2.7479	1.0121	4.1117	4.5905	4.2940	1.6228		2.5741	3.0766	2.3924	2.9263
H9	2.1536	1.0924	2.7791	2.0794	2.9263	2.3924	3.0766	2.5741		1.7497	2.4990	3.0507
H10	2.1536	1.0924	2.7791	2.0794	2.3924	2.9263	2.5741	3.0766	1.7497		3.0507	2.4990
H11	1.0924	2.1536	2.0794	2.7791	3.0766	2.5741	2.9263	2.3924	2.4990	3.0507		1.7497
H12	1.0924	2.1536	2.0794	2.7791	2.5741	3.0766	2.3924	2.9263	3.0507	2.4990	1.7497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.753	C1	C2	H9	108.939
C1	C2	H10	108.939	C1	N3	H7	109.872
C1	N3	H8	109.872	C2	C1	N3	115.753
C2	C1	H11	108.939	C2	C1	H12	108.939
C2	N4	H5	109.872	C2	N4	H6	109.872
N3	C1	H11	108.197	N3	C1	H12	108.197
N4	C2	H9	108.197	N4	C2	H10	108.197
H5	N4	H6	106.594	H7	N3	H8	106.594
H9	C2	H10	106.423	H11	C1	H12	106.423

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP3/6-31+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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All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)