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	hartrees
Energy at 0K	-206.243304
Energy at 298.15K
HF Energy	-205.360320
Nuclear repulsion energy	137.743539

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.468
N3	0.000	1.395	-0.054
N4	1.208	-0.697	-0.054
N5	-1.208	-0.697	-0.054
H6	0.879	1.829	0.214
H7	1.144	-1.676	0.214
H8	-2.024	-0.153	0.214
H9	-0.052	1.439	-1.070
H10	1.272	-0.675	-1.070
H11	-1.220	-0.764	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0939	1.4590	1.4590	1.4590	2.0356	2.0356	2.0356	2.0390	2.0390	2.0390
H2	1.0939		2.0644	2.0644	2.0644	2.3851	2.3851	2.3851	2.9176	2.9176	2.9176
N3	1.4590	2.0644		2.4158	2.4158	1.0167	3.2879	2.5618	1.0178	2.6330	2.6799
N4	1.4590	2.0644	2.4158		2.4158	2.5618	1.0167	3.2879	2.6799	1.0178	2.6330
N5	1.4590	2.0644	2.4158	2.4158		3.2879	2.5618	1.0167	2.6330	2.6799	1.0178
H6	2.0356	2.3851	1.0167	2.5618	3.2879		3.5149	3.5149	1.6334	2.8413	3.5753
H7	2.0356	2.3851	3.2879	1.0167	2.5618	3.5149		3.5149	3.5753	1.6334	2.8413
H8	2.0356	2.3851	2.5618	3.2879	1.0167	3.5149	3.5149		2.8413	3.5753	1.6334
H9	2.0390	2.9176	1.0178	2.6799	2.6330	1.6334	3.5753	2.8413		2.4941	2.4941
H10	2.0390	2.9176	2.6330	1.0178	2.6799	2.8413	1.6334	3.5753	2.4941		2.4941
H11	2.0390	2.9176	2.6799	2.6330	1.0178	3.5753	2.8413	1.6334	2.4941	2.4941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.314	C1	N3	H9	109.533
C1	N4	H7	109.314	C1	N4	H10	109.533
C1	N5	H8	109.314	C1	N5	H11	109.533
H2	C1	N3	107.062	H2	C1	N4	107.062
H2	C1	N5	107.062	N3	C1	N4	111.770
N3	C1	N5	111.770	N4	C1	N5	111.770
H6	N3	H9	106.803	H7	N4	H10	106.803
H8	N5	H11	106.803

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)