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	hartrees
Energy at 0K	-206.077243
Energy at 298.15K
HF Energy	-205.362297
Nuclear repulsion energy	139.020706

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.452
N3	0.000	1.381	-0.055
N4	1.196	-0.691	-0.055
N5	-1.196	-0.691	-0.055
H6	0.855	1.828	0.222
H7	1.156	-1.655	0.222
H8	-2.011	-0.173	0.222
H9	-0.064	1.444	-1.056
H10	1.283	-0.667	-1.056
H11	-1.219	-0.778	-1.056

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0837	1.4447	1.4447	1.4447	2.0234	2.0234	2.0234	2.0295	2.0295	2.0295
H2	1.0837		2.0443	2.0443	2.0443	2.3634	2.3634	2.3634	2.8948	2.8948	2.8948
N3	1.4447	2.0443		2.3923	2.3923	1.0038	3.2600	2.5567	1.0047	2.6156	2.6736
N4	1.4447	2.0443	2.3923		2.3923	2.5567	1.0038	3.2600	2.6736	1.0047	2.6156
N5	1.4447	2.0443	2.3923	2.3923		3.2600	2.5567	1.0038	2.6156	2.6736	1.0047
H6	2.0234	2.3634	1.0038	2.5567	3.2600		3.4954	3.4954	1.6202	2.8354	3.5671
H7	2.0234	2.3634	3.2600	1.0038	2.5567	3.4954		3.4954	3.5671	1.6202	2.8354
H8	2.0234	2.3634	2.5567	3.2600	1.0038	3.4954	3.4954		2.8354	3.5671	1.6202
H9	2.0295	2.8948	1.0047	2.6736	2.6156	1.6202	3.5671	2.8354		2.5044	2.5044
H10	2.0295	2.8948	2.6156	1.0047	2.6736	2.8354	1.6202	3.5671	2.5044		2.5044
H11	2.0295	2.8948	2.6736	2.6156	1.0047	3.5671	2.8354	1.6202	2.5044	2.5044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.158	C1	N3	H9	110.620
C1	N4	H7	110.158	C1	N4	H10	110.620
C1	N5	H8	110.158	C1	N5	H11	110.620
H2	C1	N3	107.047	H2	C1	N4	107.047
H2	C1	N5	107.047	N3	C1	N4	111.783
N3	C1	N5	111.783	N4	C1	N5	111.783
H6	N3	H9	107.540	H7	N4	H10	107.540
H8	N5	H11	107.540

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)