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	hartrees
Energy at 0K	-206.386286
Energy at 298.15K
HF Energy	-205.379162
Nuclear repulsion energy	138.619303

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.458
N3	0.000	1.385	-0.054
N4	1.199	-0.693	-0.054
N5	-1.199	-0.693	-0.054
H6	0.872	1.823	0.211
H7	1.143	-1.667	0.211
H8	-2.015	-0.157	0.211
H9	-0.068	1.437	-1.062
H10	1.278	-0.660	-1.062
H11	-1.210	-0.777	-1.062

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0873	1.4485	1.4485	1.4485	2.0273	2.0273	2.0273	2.0296	2.0296	2.0296
H2	1.0873		2.0499	2.0499	2.0499	2.3746	2.3746	2.3746	2.9009	2.9009	2.9009
N3	1.4485	2.0499		2.3990	2.3990	1.0110	3.2695	2.5509	1.0116	2.6135	2.6750
N4	1.4485	2.0499	2.3990		2.3990	2.5509	1.0110	3.2695	2.6750	1.0116	2.6135
N5	1.4485	2.0499	2.3990	2.3990		3.2695	2.5509	1.0110	2.6135	2.6750	1.0116
H6	2.0273	2.3746	1.0110	2.5509	3.2695		3.5006	3.5006	1.6284	2.8195	3.5660
H7	2.0273	2.3746	3.2695	1.0110	2.5509	3.5006		3.5006	3.5660	1.6284	2.8195
H8	2.0273	2.3746	2.5509	3.2695	1.0110	3.5006	3.5006		2.8195	3.5660	1.6284
H9	2.0296	2.9009	1.0116	2.6750	2.6135	1.6284	3.5660	2.8195		2.4912	2.4912
H10	2.0296	2.9009	2.6135	1.0116	2.6750	2.8195	1.6284	3.5660	2.4912		2.4912
H11	2.0296	2.9009	2.6750	2.6135	1.0116	3.5660	2.8195	1.6284	2.4912	2.4912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.756	C1	N3	H9	109.902
C1	N4	H7	109.756	C1	N4	H10	109.902
C1	N5	H8	109.756	C1	N5	H11	109.902
H2	C1	N3	107.017	H2	C1	N4	107.017
H2	C1	N5	107.017	N3	C1	N4	111.810
N3	C1	N5	111.810	N4	C1	N5	111.810
H6	N3	H9	107.237	H7	N4	H10	107.237
H8	N5	H11	107.237

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)