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	hartrees
Energy at 0K	-206.217792
Energy at 298.15K	-206.211630
HF Energy	-205.266575
Nuclear repulsion energy	138.725493

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	3807	3807	0.00	98.62	0.55	0.71
2	A	3715	3715	2.28	223.07	0.04	0.08
3	A	3249	3249	52.41	110.25	0.26	0.42
4	A	1831	1831	52.61	1.19	0.47	0.64
5	A	1483	1483	4.79	0.11	0.28	0.44
6	A	1012	1012	21.08	0.53	0.31	0.47
7	A	953	953	0.50	10.35	0.06	0.11
8	A	592	592	20.28	1.76	0.38	0.56
9	A	326	326	93.62	1.09	0.74	0.85
10	E	3806	3806	1.07	56.94	0.75	0.86
10	E	3806	3806	1.07	56.94	0.75	0.86
11	E	3715	3715	0.48	23.87	0.75	0.86
11	E	3715	3715	0.48	23.87	0.75	0.86
12	E	1842	1842	33.39	8.30	0.75	0.86
12	E	1842	1842	33.39	8.30	0.75	0.86
13	E	1559	1559	37.40	7.33	0.75	0.86
13	E	1559	1559	37.40	7.33	0.75	0.86
14	E	1325	1325	90.16	3.53	0.75	0.86
14	E	1325	1325	90.16	3.53	0.75	0.86
15	E	1142	1142	71.54	4.58	0.75	0.86
15	E	1142	1142	71.54	4.58	0.75	0.86
16	E	1001	1001	233.59	2.73	0.75	0.86
16	E	1001	1001	233.59	2.73	0.75	0.86
17	E	478	478	41.62	1.68	0.75	0.86
17	E	478	478	41.62	1.68	0.75	0.86
18	E	304	304	23.45	3.64	0.75	0.86
18	E	304	304	23.45	3.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.363
H2	0.000	0.000	1.449
N3	0.000	1.387	-0.058
N4	1.201	-0.693	-0.058
N5	-1.201	-0.693	-0.058
H6	0.839	1.835	0.254
H7	1.170	-1.644	0.254
H8	-2.009	-0.191	0.254
H9	-0.020	1.453	-1.058
H10	1.269	-0.709	-1.058
H11	-1.248	-0.744	-1.058

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0856	1.4489	1.4489	1.4489	2.0209	2.0209	2.0209	2.0326	2.0326	2.0326
H2	1.0856		2.0474	2.0474	2.0474	2.3451	2.3451	2.3451	2.8975	2.8975	2.8975
N3	1.4489	2.0474		2.4015	2.4015	1.0011	3.2635	2.5733	1.0027	2.6459	2.6645
N4	1.4489	2.0474	2.4015		2.4015	2.5733	1.0011	3.2635	2.6645	1.0027	2.6459
N5	1.4489	2.0474	2.4015	2.4015		3.2635	2.5733	1.0011	2.6459	2.6645	1.0027
H6	2.0209	2.3451	1.0011	2.5733	3.2635		3.4952	3.4952	1.6141	2.8946	3.5682
H7	2.0209	2.3451	3.2635	1.0011	2.5733	3.4952		3.4952	3.5682	1.6141	2.8946
H8	2.0209	2.3451	2.5733	3.2635	1.0011	3.4952	3.4952		2.8946	3.5682	1.6141
H9	2.0326	2.8975	1.0027	2.6645	2.6459	1.6141	3.5682	2.8946		2.5174	2.5174
H10	2.0326	2.8975	2.6459	1.0027	2.6645	2.8946	1.6141	3.5682	2.5174		2.5174
H11	2.0326	2.8975	2.6645	2.6459	1.0027	3.5682	2.8946	1.6141	2.5174	2.5174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.792	C1	N3	H9	110.695
C1	N4	H7	109.792	C1	N4	H10	110.695
C1	N5	H8	109.792	C1	N5	H11	110.695
H2	C1	N3	106.882	H2	C1	N4	106.882
H2	C1	N5	106.882	N3	C1	N4	111.932
N3	C1	N5	111.932	N4	C1	N5	111.932
H6	N3	H9	107.324	H7	N4	H10	107.324
H8	N5	H11	107.324

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)