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	hartrees
Energy at 0K	-206.401412
Energy at 298.15K
HF Energy	-206.167715
Nuclear repulsion energy	137.308327

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.468
N3	0.000	1.399	-0.054
N4	1.212	-0.700	-0.054
N5	-1.212	-0.700	-0.054
H6	0.877	1.839	0.223
H7	1.155	-1.679	0.223
H8	-2.031	-0.161	0.223
H9	-0.050	1.457	-1.071
H10	1.287	-0.685	-1.071
H11	-1.236	-0.772	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0993	1.4620	1.4620	1.4620	2.0428	2.0428	2.0428	2.0490	2.0490	2.0490
H2	1.0993		2.0677	2.0677	2.0677	2.3878	2.3878	2.3878	2.9280	2.9280	2.9280
N3	1.4620	2.0677		2.4240	2.4240	1.0192	3.2995	2.5762	1.0203	2.6522	2.6980
N4	1.4620	2.0677	2.4240		2.4240	2.5762	1.0192	3.2995	2.6980	1.0203	2.6522
N5	1.4620	2.0677	2.4240	2.4240		3.2995	2.5762	1.0192	2.6522	2.6980	1.0203
H6	2.0428	2.3878	1.0192	2.5762	3.2995		3.5293	3.5293	1.6377	2.8662	3.6000
H7	2.0428	2.3878	3.2995	1.0192	2.5762	3.5293		3.5293	3.6000	1.6377	2.8662
H8	2.0428	2.3878	2.5762	3.2995	1.0192	3.5293	3.5293		2.8662	3.6000	1.6377
H9	2.0490	2.9280	1.0203	2.6980	2.6522	1.6377	3.6000	2.8662		2.5245	2.5245
H10	2.0490	2.9280	2.6522	1.0203	2.6980	2.8662	1.6377	3.6000	2.5245		2.5245
H11	2.0490	2.9280	2.6980	2.6522	1.0203	3.6000	2.8662	1.6377	2.5245	2.5245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.544	C1	N3	H9	109.999
C1	N4	H7	109.544	C1	N4	H10	109.999
C1	N5	H8	109.544	C1	N5	H11	109.999
H2	C1	N3	106.809	H2	C1	N4	106.809
H2	C1	N5	106.809	N3	C1	N4	111.997
N3	C1	N5	111.997	N4	C1	N5	111.997
H6	N3	H9	106.833	H7	N4	H10	106.833
H8	N5	H11	106.833

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)