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	hartrees
Energy at 0K	-206.092915
Energy at 298.15K
HF Energy	-205.316224
Nuclear repulsion energy	136.778078

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.478
N3	0.000	1.406	-0.055
N4	1.217	-0.703	-0.055
N5	-1.217	-0.703	-0.055
H6	0.890	1.833	0.221
H7	1.143	-1.687	0.221
H8	-2.033	-0.146	0.221
H9	-0.028	1.442	-1.080
H10	1.263	-0.697	-1.080
H11	-1.235	-0.745	-1.080

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1048	1.4695	1.4695	1.4695	2.0434	2.0434	2.0434	2.0478	2.0478	2.0478
H2	1.1048		2.0798	2.0798	2.0798	2.3942	2.3942	2.3942	2.9368	2.9368	2.9368
N3	1.4695	2.0798		2.4348	2.4348	1.0248	3.3087	2.5722	1.0262	2.6588	2.6840
N4	1.4695	2.0798	2.4348		2.4348	2.5722	1.0248	3.3087	2.6840	1.0262	2.6588
N5	1.4695	2.0798	2.4348	2.4348		3.3087	2.5722	1.0248	2.6588	2.6840	1.0262
H6	2.0434	2.3942	1.0248	2.5722	3.3087		3.5295	3.5295	1.6392	2.8700	3.5857
H7	2.0434	2.3942	3.3087	1.0248	2.5722	3.5295		3.5295	3.5857	1.6392	2.8700
H8	2.0434	2.3942	2.5722	3.3087	1.0248	3.5295	3.5295		2.8700	3.5857	1.6392
H9	2.0478	2.9368	1.0262	2.6840	2.6588	1.6392	3.5857	2.8700		2.4989	2.4989
H10	2.0478	2.9368	2.6588	1.0262	2.6840	2.8700	1.6392	3.5857	2.4989		2.4989
H11	2.0478	2.9368	2.6840	2.6588	1.0262	3.5857	2.8700	1.6392	2.4989	2.4989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.708	C1	N3	H9	108.983
C1	N4	H7	108.708	C1	N4	H10	108.983
C1	N5	H8	108.708	C1	N5	H11	108.983
H2	C1	N3	106.936	H2	C1	N4	106.936
H2	C1	N5	106.936	N3	C1	N4	111.883
N3	C1	N5	111.883	N4	C1	N5	111.883
H6	N3	H9	106.108	H7	N4	H10	106.108
H8	N5	H11	106.108

All results from a given calculation for CH₇N₃ (triaminomethane)

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

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-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)