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	hartrees
Energy at 0K	-206.496329
Energy at 298.15K	-206.506432
HF Energy	-206.212016
Nuclear repulsion energy	138.035001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3419	0.24
2	A	3485	3331	3.29
3	A	3071	2935	30.01
4	A	1650	1577	48.68
5	A	1361	1301	1.86
6	A	932	891	17.87
7	A	859	821	1.47
8	A	561	537	14.04
9	A	306	292	55.88
10	E	3577	3419	0.58
10	E	3577	3419	0.57
11	E	3489	3335	0.39
11	E	3489	3335	0.38
12	E	1659	1585	25.10
12	E	1659	1585	25.10
13	E	1426	1363	20.93
13	E	1426	1363	20.97
14	E	1227	1173	48.59
14	E	1227	1173	48.66
15	E	1047	1001	47.25
15	E	1047	1001	47.16
16	E	895	856	222.77
16	E	895	855	222.91
17	E	444	424	36.14
17	E	443	424	36.28
18	E	264	253	20.38
18	E	263	252	20.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.458
N3	0.000	1.393	-0.053
N4	1.207	-0.697	-0.053
N5	-1.207	-0.697	-0.053
H6	0.876	1.826	0.214
H7	1.143	-1.672	0.214
H8	-2.019	-0.154	0.214
H9	-0.057	1.443	-1.065
H10	1.278	-0.672	-1.065
H11	-1.221	-0.771	-1.065

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0892	1.4558	1.4558	1.4558	2.0310	2.0310	2.0310	2.0346	2.0346	2.0346
H2	1.0892		2.0556	2.0556	2.0556	2.3768	2.3768	2.3768	2.9066	2.9066	2.9066
N3	1.4558	2.0556		2.4132	2.4132	1.0130	3.2820	2.5578	1.0140	2.6308	2.6826
N4	1.4558	2.0556	2.4132		2.4132	2.5578	1.0130	3.2820	2.6826	1.0140	2.6308
N5	1.4558	2.0556	2.4132	2.4132		3.2820	2.5578	1.0130	2.6308	2.6826	1.0140
H6	2.0310	2.3768	1.0130	2.5578	3.2820		3.5075	3.5075	1.6284	2.8344	3.5740
H7	2.0310	2.3768	3.2820	1.0130	2.5578	3.5075		3.5075	3.5740	1.6284	2.8344
H8	2.0310	2.3768	2.5578	3.2820	1.0130	3.5075	3.5075		2.8344	3.5740	1.6284
H9	2.0346	2.9066	1.0140	2.6826	2.6308	1.6284	3.5740	2.8344		2.5009	2.5009
H10	2.0346	2.9066	2.6308	1.0140	2.6826	2.8344	1.6284	3.5740	2.5009		2.5009
H11	2.0346	2.9066	2.6826	2.6308	1.0140	3.5740	2.8344	1.6284	2.5009	2.5009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.394	C1	N3	H9	109.629
C1	N4	H7	109.394	C1	N4	H10	109.629
C1	N5	H8	109.394	C1	N5	H11	109.629
H2	C1	N3	106.859	H2	C1	N4	106.859
H2	C1	N5	106.859	N3	C1	N4	111.953
N3	C1	N5	111.953	N4	C1	N5	111.953
H6	N3	H9	106.903	H7	N4	H10	106.903
H8	N5	H11	106.903

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)