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	hartrees
Energy at 0K	-206.086829
Energy at 298.15K	-206.097105
HF Energy	-205.354491
Nuclear repulsion energy	138.123592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3402	0.15
2	A	3543	3314	2.19
3	A	3130	2927	30.84
4	A	1668	1560	57.01
5	A	1385	1295	2.88
6	A	966	903	24.36
7	A	893	835	0.87
8	A	574	537	20.27
9	A	338	316	65.61
10	E	3638	3402	1.00
10	E	3638	3402	1.00
11	E	3546	3316	0.92
11	E	3546	3316	0.92
12	E	1677	1568	31.19
12	E	1677	1568	31.19
13	E	1458	1363	27.59
13	E	1458	1363	27.59
14	E	1261	1179	52.55
14	E	1261	1179	52.55
15	E	1078	1008	42.28
15	E	1078	1008	42.28
16	E	935	874	215.70
16	E	935	874	215.70
17	E	460	430	39.21
17	E	460	430	39.21
18	E	284	266	21.97
18	E	284	266	21.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.464
N3	0.000	1.392	-0.054
N4	1.205	-0.696	-0.054
N5	-1.205	-0.696	-0.054
H6	0.882	1.818	0.203
H7	1.134	-1.673	0.203
H8	-2.015	-0.146	0.203
H9	-0.074	1.437	-1.064
H10	1.282	-0.654	-1.064
H11	-1.208	-0.783	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0903	1.4558	1.4558	1.4558	2.0280	2.0280	2.0280	2.0344	2.0344	2.0344
H2	1.0903		2.0593	2.0593	2.0593	2.3821	2.3821	2.3821	2.9091	2.9091	2.9091
N3	1.4558	2.0593		2.4102	2.4102	1.0125	3.2773	2.5477	1.0139	2.6171	2.6847
N4	1.4558	2.0593	2.4102		2.4102	2.5477	1.0125	3.2773	2.6847	1.0139	2.6171
N5	1.4558	2.0593	2.4102	2.4102		3.2773	2.5477	1.0125	2.6171	2.6847	1.0139
H6	2.0280	2.3821	1.0125	2.5477	3.2773		3.5000	3.5000	1.6320	2.8069	3.5689
H7	2.0280	2.3821	3.2773	1.0125	2.5477	3.5000		3.5000	3.5689	1.6320	2.8069
H8	2.0280	2.3821	2.5477	3.2773	1.0125	3.5000	3.5000		2.8069	3.5689	1.6320
H9	2.0344	2.9091	1.0139	2.6847	2.6171	1.6320	3.5689	2.8069		2.4930	2.4930
H10	2.0344	2.9091	2.6171	1.0139	2.6847	2.8069	1.6320	3.5689	2.4930		2.4930
H11	2.0344	2.9091	2.6847	2.6171	1.0139	3.5689	2.8069	1.6320	2.4930	2.4930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.170	C1	N3	H9	109.630
C1	N4	H7	109.170	C1	N4	H10	109.630
C1	N5	H8	109.170	C1	N5	H11	109.630
H2	C1	N3	107.085	H2	C1	N4	107.085
H2	C1	N5	107.085	N3	C1	N4	111.749
N3	C1	N5	111.749	N4	C1	N5	111.749
H6	N3	H9	107.295	H7	N4	H10	107.295
H8	N5	H11	107.295

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)