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	hartrees
Energy at 0K	-204.515071
Energy at 298.15K	-204.525208
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	3338	1.94
2	A	3481	3243	7.95
3	A	3167	2950	33.97
4	A	1776	1655	44.75
5	A	1419	1322	3.72
6	A	948	883	23.64
7	A	831	774	1.11
8	A	549	511	30.27
9	A	319	297	85.55
10	E	3583	3338	0.03
10	E	3583	3338	0.03
11	E	3480	3242	0.57
11	E	3480	3242	0.57
12	E	1779	1658	18.06
12	E	1779	1658	18.06
13	E	1479	1378	18.30
13	E	1479	1378	18.30
14	E	1261	1174	48.48
14	E	1261	1174	48.48
15	E	1073	1000	41.64
15	E	1073	1000	41.64
16	E	856	797	318.70
16	E	856	797	318.70
17	E	436	406	53.26
17	E	436	406	53.26
18	E	287	268	30.11
18	E	287	268	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)