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	hartrees
Energy at 0K	-206.082022
Energy at 298.15K	-206.092050
HF Energy	-205.315945
Nuclear repulsion energy	136.660463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3526	3444
2	A	3422	3343
3	A	3080	3008
4	A	1700	1660
5	A	1403	1371
6	A	998	975
7	A	890	870
8	A	560	547
9	A	319	312
10	E	3526	3445
10	E	3526	3445
11	E	3426	3347
11	E	3426	3346
12	E	1712	1672
12	E	1712	1672
13	E	1449	1415
13	E	1449	1415
14	E	1253	1225
14	E	1253	1224
15	E	1080	1055
15	E	1080	1055
16	E	967	945
16	E	967	945
17	E	447	437
17	E	447	437
18	E	304	297
18	E	304	297

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.480
N3	0.000	1.407	-0.055
N4	1.219	-0.704	-0.055
N5	-1.219	-0.704	-0.055
H6	0.891	1.834	0.221
H7	1.143	-1.688	0.221
H8	-2.034	-0.146	0.221
H9	-0.028	1.443	-1.080
H10	1.264	-0.698	-1.080
H11	-1.236	-0.746	-1.080

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1056	1.4709	1.4709	1.4709	2.0448	2.0448	2.0448	2.0492	2.0492	2.0492
H2	1.1056		2.0817	2.0817	2.0817	2.3963	2.3963	2.3963	2.9390	2.9390	2.9390
N3	1.4709	2.0817		2.4371	2.4371	1.0255	3.3114	2.5737	1.0269	2.6608	2.6860
N4	1.4709	2.0817	2.4371		2.4371	2.5737	1.0255	3.3114	2.6860	1.0269	2.6608
N5	1.4709	2.0817	2.4371	2.4371		3.3114	2.5737	1.0255	2.6608	2.6860	1.0269
H6	2.0448	2.3963	1.0255	2.5737	3.3114		3.5318	3.5318	1.6400	2.8713	3.5879
H7	2.0448	2.3963	3.3114	1.0255	2.5737	3.5318		3.5318	3.5879	1.6400	2.8713
H8	2.0448	2.3963	2.5737	3.3114	1.0255	3.5318	3.5318		2.8713	3.5879	1.6400
H9	2.0492	2.9390	1.0269	2.6860	2.6608	1.6400	3.5879	2.8713		2.5004	2.5004
H10	2.0492	2.9390	2.6608	1.0269	2.6860	2.8713	1.6400	3.5879	2.5004		2.5004
H11	2.0492	2.9390	2.6860	2.6608	1.0269	3.5879	2.8713	1.6400	2.5004	2.5004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.677	C1	N3	H9	108.958
C1	N4	H7	108.677	C1	N4	H10	108.958
C1	N5	H8	108.677	C1	N5	H11	108.958
H2	C1	N3	106.940	H2	C1	N4	106.940
H2	C1	N5	106.940	N3	C1	N4	111.880
N3	C1	N5	111.880	N4	C1	N5	111.880
H6	N3	H9	106.080	H7	N4	H10	106.080
H8	N5	H11	106.081

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)