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	hartrees
Energy at 0K	-205.362470
Energy at 298.15K	-205.372819
HF Energy	-205.362470
Nuclear repulsion energy	138.963239

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	3789	3448	1.19	87.92	0.57	0.73
2	A	3702	3369	0.73	242.30	0.02	0.04
3	A	3198	2910	47.69	116.02	0.22	0.37
4	A	1781	1621	46.99	0.90	0.49	0.66
5	A	1460	1329	5.64	0.19	0.25	0.40
6	A	985	897	24.68	2.71	0.20	0.33
7	A	931	847	2.08	7.46	0.07	0.13
8	A	594	541	12.63	1.65	0.14	0.25
9	A	315	287	66.94	0.23	0.75	0.85
10	E	3788	3447	1.92	45.49	0.75	0.86
10	E	3788	3447	1.92	45.49	0.75	0.86
11	E	3702	3369	1.55	22.21	0.75	0.86
11	E	3702	3369	1.55	22.21	0.75	0.86
12	E	1791	1630	36.16	3.78	0.75	0.86
12	E	1791	1630	36.16	3.78	0.75	0.86
13	E	1547	1408	30.80	3.67	0.75	0.86
13	E	1547	1408	30.80	3.67	0.75	0.86
14	E	1312	1194	74.05	2.00	0.75	0.86
14	E	1312	1194	74.05	2.00	0.75	0.86
15	E	1127	1026	64.09	4.19	0.75	0.86
15	E	1127	1026	64.09	4.19	0.75	0.86
16	E	966	880	213.13	0.91	0.75	0.86
16	E	966	880	213.13	0.91	0.75	0.86
17	E	477	435	37.27	0.84	0.75	0.86
17	E	477	435	37.27	0.84	0.75	0.86
18	E	281	256	20.23	1.53	0.75	0.86
18	E	281	256	20.23	1.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.448
N3	0.000	1.384	-0.056
N4	1.198	-0.692	-0.056
N5	-1.198	-0.692	-0.056
H6	0.844	1.833	0.233
H7	1.165	-1.648	0.233
H8	-2.009	-0.185	0.233
H9	-0.054	1.454	-1.053
H10	1.286	-0.681	-1.053
H11	-1.232	-0.773	-1.053

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0823	1.4466	1.4466	1.4466	2.0222	2.0222	2.0222	2.0317	2.0317	2.0317
H2	1.0823		2.0437	2.0437	2.0437	2.3554	2.3554	2.3554	2.8929	2.8929	2.8929
N3	1.4466	2.0437		2.3967	2.3967	0.9989	3.2603	2.5657	1.0003	2.6283	2.6768
N4	1.4466	2.0437	2.3967		2.3967	2.5657	0.9989	3.2603	2.6768	1.0003	2.6283
N5	1.4466	2.0437	2.3967	2.3967		3.2603	2.5657	0.9989	2.6283	2.6768	1.0003
H6	2.0222	2.3554	0.9989	2.5657	3.2603		3.4950	3.4950	1.6130	2.8572	3.5717
H7	2.0222	2.3554	3.2603	0.9989	2.5657	3.4950		3.4950	3.5717	1.6130	2.8572
H8	2.0222	2.3554	2.5657	3.2603	0.9989	3.4950	3.4950		2.8572	3.5717	1.6130
H9	2.0317	2.8929	1.0003	2.6768	2.6283	1.6130	3.5717	2.8572		2.5201	2.5201
H10	2.0317	2.8929	2.6283	1.0003	2.6768	2.8572	1.6130	3.5717	2.5201		2.5201
H11	2.0317	2.8929	2.6768	2.6283	1.0003	3.5717	2.8572	1.6130	2.5201	2.5201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.221	C1	N3	H9	110.949
C1	N4	H7	110.221	C1	N4	H10	110.949
C1	N5	H8	110.221	C1	N5	H11	110.949
H2	C1	N3	106.948	H2	C1	N4	106.948
H2	C1	N5	106.948	N3	C1	N4	111.872
N3	C1	N5	111.872	N4	C1	N5	111.872
H6	N3	H9	107.572	H7	N4	H10	107.572
H8	N5	H11	107.573

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.224
2	H	0.100
3	N	-0.375
4	N	-0.375
5	N	-0.375
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.118
10	H	0.118
11	H	0.118

<r²>	81.175
(<r²>)^1/2	9.010

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)