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	hartrees
Energy at 0K	-206.345095
Energy at 298.15K
HF Energy	-205.365489
Nuclear repulsion energy	138.157871

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.466
N3	0.000	1.391	-0.054
N4	1.204	-0.695	-0.054
N5	-1.204	-0.695	-0.054
H6	0.884	1.818	0.204
H7	1.132	-1.674	0.204
H8	-2.016	-0.143	0.204
H9	-0.059	1.427	-1.067
H10	1.265	-0.663	-1.067
H11	-1.206	-0.764	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0910	1.4550	1.4550	1.4550	2.0285	2.0285	2.0285	2.0295	2.0295	2.0295
H2	1.0910		2.0596	2.0596	2.0596	2.3826	2.3826	2.3826	2.9079	2.9079	2.9079
N3	1.4550	2.0596		2.4086	2.4086	1.0150	3.2776	2.5466	1.0161	2.6160	2.6696
N4	1.4550	2.0596	2.4086		2.4086	2.5466	1.0150	3.2776	2.6696	1.0161	2.6160
N5	1.4550	2.0596	2.4086	2.4086		3.2776	2.5466	1.0150	2.6160	2.6696	1.0161
H6	2.0285	2.3826	1.0150	2.5466	3.2776		3.5010	3.5010	1.6304	2.8133	3.5572
H7	2.0285	2.3826	3.2776	1.0150	2.5466	3.5010		3.5010	3.5572	1.6304	2.8133
H8	2.0285	2.3826	2.5466	3.2776	1.0150	3.5010	3.5010		2.8133	3.5572	1.6304
H9	2.0295	2.9079	1.0161	2.6696	2.6160	1.6304	3.5572	2.8133		2.4735	2.4735
H10	2.0295	2.9079	2.6160	1.0161	2.6696	2.8133	1.6304	3.5572	2.4735		2.4735
H11	2.0295	2.9079	2.6696	2.6160	1.0161	3.5572	2.8133	1.6304	2.4735	2.4735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.120	C1	N3	H9	109.132
C1	N4	H7	109.120	C1	N4	H10	109.132
C1	N5	H8	109.120	C1	N5	H11	109.132
H2	C1	N3	107.116	H2	C1	N4	107.116
H2	C1	N5	107.116	N3	C1	N4	111.720
N3	C1	N5	111.720	N4	C1	N5	111.720
H6	N3	H9	106.783	H7	N4	H10	106.783
H8	N5	H11	106.783

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP4=FULL/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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)