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	hartrees
Energy at 0K	-206.271642
Energy at 298.15K
HF Energy	-205.364811
Nuclear repulsion energy	137.580581

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.468
N3	0.000	1.397	-0.054
N4	1.210	-0.699	-0.054
N5	-1.210	-0.699	-0.054
H6	0.883	1.827	0.212
H7	1.140	-1.678	0.212
H8	-2.024	-0.148	0.212
H9	-0.048	1.436	-1.071
H10	1.268	-0.677	-1.071
H11	-1.220	-0.759	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0935	1.4617	1.4617	1.4617	2.0354	2.0354	2.0354	2.0381	2.0381	2.0381
H2	1.0935		2.0664	2.0664	2.0664	2.3863	2.3863	2.3863	2.9173	2.9173	2.9173
N3	1.4617	2.0664		2.4204	2.4204	1.0175	3.2910	2.5602	1.0186	2.6349	2.6783
N4	1.4617	2.0664	2.4204		2.4204	2.5602	1.0175	3.2910	2.6783	1.0186	2.6349
N5	1.4617	2.0664	2.4204	2.4204		3.2910	2.5602	1.0175	2.6349	2.6783	1.0186
H6	2.0354	2.3863	1.0175	2.5602	3.2910		3.5142	3.5142	1.6324	2.8390	3.5715
H7	2.0354	2.3863	3.2910	1.0175	2.5602	3.5142		3.5142	3.5715	1.6324	2.8390
H8	2.0354	2.3863	2.5602	3.2910	1.0175	3.5142	3.5142		2.8390	3.5715	1.6324
H9	2.0381	2.9173	1.0186	2.6783	2.6349	1.6324	3.5715	2.8390		2.4887	2.4887
H10	2.0381	2.9173	2.6349	1.0186	2.6783	2.8390	1.6324	3.5715	2.4887		2.4887
H11	2.0381	2.9173	2.6783	2.6349	1.0186	3.5715	2.8390	1.6324	2.4887	2.4887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.059	C1	N3	H9	109.210
C1	N4	H7	109.059	C1	N4	H10	109.210
C1	N5	H8	109.059	C1	N5	H11	109.210
H2	C1	N3	107.054	H2	C1	N4	107.054
H2	C1	N5	107.054	N3	C1	N4	111.776
N3	C1	N5	111.776	N4	C1	N5	111.776
H6	N3	H9	106.596	H7	N4	H10	106.596
H8	N5	H11	106.596

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP4/aug-cc-pVTZ

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 CH7N3 (triaminomethane)

using model chemistry: MP4/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)