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	hartrees
Energy at 0K	-204.515071
Energy at 298.15K	-204.525195
HF Energy	-204.124099
Nuclear repulsion energy	136.195055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3334	1.94
2	A	3481	3239	7.95
3	A	3167	2947	33.97
4	A	1776	1653	44.75
5	A	1419	1320	3.72
6	A	948	882	23.64
7	A	831	773	1.11
8	A	549	511	30.27
9	A	319	296	85.55
10	E	3583	3334	0.03
10	E	3583	3334	0.03
11	E	3480	3238	0.57
11	E	3480	3238	0.57
12	E	1779	1656	18.06
12	E	1779	1656	18.06
13	E	1479	1376	18.30
13	E	1479	1376	18.30
14	E	1261	1173	48.48
14	E	1261	1173	48.48
15	E	1073	998	41.64
15	E	1073	998	41.64
16	E	856	796	318.70
16	E	856	796	318.70
17	E	436	405	53.26
17	E	436	405	53.26
18	E	287	267	30.11
18	E	287	267	30.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.464
N3	0.000	1.411	-0.061
N4	1.222	-0.706	-0.061
N5	-1.222	-0.706	-0.061
H6	0.840	1.884	0.266
H7	1.212	-1.670	0.266
H8	-2.052	-0.214	0.266
H9	-0.055	1.480	-1.078
H10	1.309	-0.692	-1.078
H11	-1.254	-0.788	-1.078

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0891	1.4771	1.4771	1.4771	2.0662	2.0662	2.0662	2.0751	2.0751	2.0751
H2	1.0891		2.0781	2.0781	2.0781	2.3860	2.3860	2.3860	2.9425	2.9425	2.9425
N3	1.4771	2.0781		2.4442	2.4442	1.0185	3.3270	2.6383	1.0208	2.6783	2.7280
N4	1.4771	2.0781	2.4442		2.4442	2.6383	1.0185	3.3270	2.7280	1.0208	2.6783
N5	1.4771	2.0781	2.4442	2.4442		3.3270	2.6383	1.0185	2.6783	2.7280	1.0208
H6	2.0662	2.3860	1.0185	2.6383	3.3270		3.5737	3.5737	1.6651	2.9440	3.6516
H7	2.0662	2.3860	3.3270	1.0185	2.6383	3.5737		3.5737	3.6516	1.6651	2.9440
H8	2.0662	2.3860	2.6383	3.3270	1.0185	3.5737	3.5737		2.9440	3.6516	1.6651
H9	2.0751	2.9425	1.0208	2.7280	2.6783	1.6651	3.6516	2.9440		2.5652	2.5652
H10	2.0751	2.9425	2.6783	1.0208	2.7280	2.9440	1.6651	3.6516	2.5652		2.5652
H11	2.0751	2.9425	2.7280	2.6783	1.0208	3.6516	2.9440	1.6651	2.5652	2.5652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.421	C1	N3	H9	111.025
C1	N4	H7	110.421	C1	N4	H10	111.025
C1	N5	H8	110.421	C1	N5	H11	111.025
H2	C1	N3	107.184	H2	C1	N4	107.184
H2	C1	N5	107.184	N3	C1	N4	111.658
N3	C1	N5	111.658	N4	C1	N5	111.658
H6	N3	H9	109.466	H7	N4	H10	109.466
H8	N5	H11	109.466

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CID/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)