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	hartrees
Energy at 0K	-205.993299
Energy at 298.15K	-206.003573
HF Energy	-205.289997
Nuclear repulsion energy	137.873189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3419	0.56
2	A	3546	3325	5.02
3	A	3140	2944	37.04
4	A	1700	1594	48.80
5	A	1409	1321	1.59
6	A	985	924	11.19
7	A	904	848	1.03
8	A	566	531	23.82
9	A	314	294	81.61
10	E	3646	3419	0.08
10	E	3646	3419	0.08
11	E	3549	3327	0.00
11	E	3549	3327	0.00
12	E	1711	1605	24.24
12	E	1711	1605	24.24
13	E	1471	1379	30.76
13	E	1471	1379	30.76
14	E	1266	1187	61.18
14	E	1266	1187	61.18
15	E	1094	1025	36.36
15	E	1094	1025	36.36
16	E	962	902	221.31
16	E	962	902	221.31
17	E	454	426	39.89
17	E	454	426	39.89
18	E	300	281	20.13
18	E	300	281	20.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.460
N3	0.000	1.396	-0.056
N4	1.209	-0.698	-0.056
N5	-1.209	-0.698	-0.056
H6	0.871	1.822	0.243
H7	1.142	-1.666	0.243
H8	-2.013	-0.156	0.243
H9	0.008	1.430	-1.072
H10	1.235	-0.722	-1.072
H11	-1.242	-0.708	-1.072

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0922	1.4587	1.4587	1.4587	2.0231	2.0231	2.0231	2.0297	2.0297	2.0297
H2	1.0922		2.0609	2.0609	2.0609	2.3575	2.3575	2.3575	2.9085	2.9085	2.9085
N3	1.4587	2.0609		2.4173	2.4173	1.0152	3.2808	2.5594	1.0169	2.6532	2.6462
N4	1.4587	2.0609	2.4173		2.4173	2.5594	1.0153	3.2808	2.6462	1.0169	2.6532
N5	1.4587	2.0609	2.4173	2.4173		3.2808	2.5594	1.0152	2.6532	2.6462	1.0169
H6	2.0231	2.3575	1.0152	2.5594	3.2808		3.4975	3.4975	1.6221	2.8864	3.5496
H7	2.0231	2.3575	3.2808	1.0153	2.5594	3.4975		3.4975	3.5496	1.6221	2.8864
H8	2.0231	2.3575	2.5594	3.2808	1.0152	3.4975	3.4975		2.8864	3.5496	1.6221
H9	2.0297	2.9085	1.0169	2.6462	2.6532	1.6221	3.5496	2.8864		2.4768	2.4768
H10	2.0297	2.9085	2.6532	1.0169	2.6462	2.8864	1.6221	3.5496	2.4768		2.4767
H11	2.0297	2.9085	2.6462	2.6532	1.0169	3.5496	2.8864	1.6221	2.4768	2.4767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.395	C1	N3	H9	108.841
C1	N4	H7	108.395	C1	N4	H10	108.841
C1	N5	H8	108.395	C1	N5	H11	108.841
H2	C1	N3	106.907	H2	C1	N4	106.907
H2	C1	N5	106.907	N3	C1	N4	111.909
N3	C1	N5	111.909	N4	C1	N5	111.909
H6	N3	H9	105.925	H7	N4	H10	105.925
H8	N5	H11	105.925

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)