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	hartrees
Energy at 0K	-202.671134
Energy at 298.15K	-202.681150
HF Energy	-202.671134
Nuclear repulsion energy	135.585061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	4084	3335	6.13	39.87	0.65	0.79
2	A	3897	3182	6.41	123.77	0.03	0.06
3	A	3640	2972	1.49	38.78	0.38	0.55
4	A	2018	1648	14.12	6.13	0.44	0.61
5	A	1625	1327	0.23	2.08	0.60	0.75
6	A	1152	940	0.20	0.03	0.37	0.54
7	A	1008	823	2.18	11.84	0.08	0.14
8	A	570	465	19.66	0.94	0.17	0.29
9	A	273	223	108.34	0.41	0.75	0.86
10	E	4083	3333	0.25	30.82	0.75	0.86
10	E	4083	3333	0.25	30.82	0.75	0.86
11	E	3901	3185	3.44	13.50	0.75	0.86
11	E	3901	3185	3.44	13.50	0.75	0.86
12	E	2023	1651	4.00	11.54	0.75	0.86
12	E	2023	1651	4.00	11.54	0.75	0.86
13	E	1667	1361	39.76	14.54	0.75	0.86
13	E	1667	1361	39.76	14.54	0.75	0.86
14	E	1419	1159	54.27	7.35	0.75	0.86
14	E	1419	1159	54.27	7.35	0.75	0.86
15	E	1274	1040	7.10	4.71	0.75	0.86
15	E	1274	1040	7.10	4.71	0.75	0.86
16	E	1128	921	134.22	3.14	0.75	0.86
16	E	1128	921	134.22	3.14	0.75	0.86
17	E	452	369	24.06	2.28	0.75	0.86
17	E	452	369	24.06	2.28	0.75	0.86
18	E	280	229	16.39	5.08	0.75	0.86
18	E	280	229	16.39	5.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.470
N3	0.000	1.420	-0.073
N4	1.230	-0.710	-0.073
N5	-1.230	-0.710	-0.073
H6	0.827	1.865	0.356
H7	1.202	-1.649	0.356
H8	-2.029	-0.216	0.356
H9	0.207	1.422	-1.086
H10	1.129	-0.890	-1.086
H11	-1.335	-0.532	-1.086

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0963	1.4883	1.4883	1.4883	2.0406	2.0406	2.0406	2.0488	2.0488	2.0488
H2	1.0963		2.0966	2.0966	2.0966	2.3250	2.3250	2.3250	2.9326	2.9326	2.9326
N3	1.4883	2.0966		2.4591	2.4591	1.0327	3.3235	2.6413	1.0344	2.7634	2.5731
N4	1.4883	2.0966	2.4591		2.4591	2.6413	1.0327	3.3235	2.5731	1.0344	2.7634
N5	1.4883	2.0966	2.4591	2.4591		3.3235	2.6413	1.0327	2.7634	2.5731	1.0344
H6	2.0406	2.3250	1.0327	2.6413	3.3235		3.5343	3.5343	1.6310	3.1244	3.5361
H7	2.0406	2.3250	3.3235	1.0327	2.6413	3.5343		3.5343	3.5361	1.6310	3.1244
H8	2.0406	2.3250	2.6413	3.3235	1.0327	3.5343	3.5343		3.1244	3.5361	1.6310
H9	2.0488	2.9326	1.0344	2.5731	2.7634	1.6310	3.5361	3.1244		2.4896	2.4896
H10	2.0488	2.9326	2.7634	1.0344	2.5731	3.1244	1.6310	3.5361	2.4896		2.4896
H11	2.0488	2.9326	2.5731	2.7634	1.0344	3.5361	3.1244	1.6310	2.4896	2.4896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	106.687	C1	N3	H9	107.241
C1	N4	H7	106.687	C1	N4	H10	107.241
C1	N5	H8	106.687	C1	N5	H11	107.241
H2	C1	N3	107.453	H2	C1	N4	107.453
H2	C1	N5	107.453	N3	C1	N4	111.412
N3	C1	N5	111.412	N4	C1	N5	111.412
H6	N3	H9	104.196	H7	N4	H10	104.196
H8	N5	H11	104.197

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.203
2	H	0.072
3	N	-0.393
4	N	-0.393
5	N	-0.393
6	H	0.160
7	H	0.160
8	H	0.160
9	H	0.142
10	H	0.142
11	H	0.142

<r²>	83.150
(<r²>)^1/2	9.119

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)