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	hartrees
Energy at 0K	-206.401406
Energy at 298.15K
HF Energy	-206.167706
Nuclear repulsion energy	137.306966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3433	1.05
2	A	3470	3339	3.67
3	A	3078	2962	25.56
4	A	1630	1569	47.06
5	A	1343	1292	1.16
6	A	918	883	16.61
7	A	847	815	4.76
8	A	548	528	10.87
9	A	295	284	57.88
10	E	3568	3434	0.94
10	E	3568	3434	0.94
11	E	3474	3343	0.87
11	E	3474	3343	0.87
12	E	1640	1578	27.57
12	E	1640	1578	27.58
13	E	1409	1356	20.13
13	E	1409	1356	20.13
14	E	1214	1169	52.54
14	E	1214	1169	52.53
15	E	1042	1002	45.94
15	E	1042	1002	45.92
16	E	878	845	193.97
16	E	878	845	193.93
17	E	439	422	37.19
17	E	438	422	37.22
18	E	251	242	19.12
18	E	251	242	19.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.468
N3	0.000	1.400	-0.054
N4	1.212	-0.700	-0.054
N5	-1.212	-0.700	-0.054
H6	0.877	1.839	0.223
H7	1.155	-1.679	0.223
H8	-2.031	-0.160	0.223
H9	-0.050	1.457	-1.072
H10	1.287	-0.685	-1.072
H11	-1.236	-0.772	-1.072

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0992	1.4620	1.4620	1.4620	2.0428	2.0428	2.0428	2.0490	2.0490	2.0490
H2	1.0992		2.0676	2.0676	2.0676	2.3877	2.3877	2.3877	2.9280	2.9280	2.9280
N3	1.4620	2.0676		2.4240	2.4240	1.0193	3.2995	2.5761	1.0203	2.6523	2.6979
N4	1.4620	2.0676	2.4240		2.4240	2.5761	1.0193	3.2995	2.6979	1.0203	2.6523
N5	1.4620	2.0676	2.4240	2.4240		3.2995	2.5761	1.0193	2.6523	2.6979	1.0203
H6	2.0428	2.3877	1.0193	2.5761	3.2995		3.5292	3.5292	1.6376	2.8663	3.5999
H7	2.0428	2.3877	3.2995	1.0193	2.5761	3.5292		3.5292	3.5999	1.6376	2.8663
H8	2.0428	2.3877	2.5761	3.2995	1.0193	3.5292	3.5292		2.8663	3.5999	1.6376
H9	2.0490	2.9280	1.0203	2.6979	2.6523	1.6376	3.5999	2.8663		2.5244	2.5244
H10	2.0490	2.9280	2.6523	1.0203	2.6979	2.8663	1.6376	3.5999	2.5244		2.5244
H11	2.0490	2.9280	2.6979	2.6523	1.0203	3.5999	2.8663	1.6376	2.5244	2.5244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.537	C1	N3	H9	109.994
C1	N4	H7	109.537	C1	N4	H10	109.994
C1	N5	H8	109.537	C1	N5	H11	109.994
H2	C1	N3	106.808	H2	C1	N4	106.808
H2	C1	N5	106.808	N3	C1	N4	111.998
N3	C1	N5	111.998	N4	C1	N5	111.998
H6	N3	H9	106.824	H7	N4	H10	106.824
H8	N5	H11	106.824

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)