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	hartrees
Energy at 0K	-203.866892
Energy at 298.15K	-203.876464
HF Energy	-203.866892
Nuclear repulsion energy	132.836027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3256	28.74
2	A	3458	3086	14.55
3	A	3359	2997	1.01
4	A	1851	1652	12.71
5	A	1497	1336	0.03
6	A	1080	964	0.62
7	A	867	774	2.57
8	A	505	451	13.90
9	A	245	219	106.87
10	E	3646	3254	3.78
10	E	3646	3254	3.78
11	E	3467	3094	15.35
11	E	3467	3094	15.35
12	E	1856	1656	2.87
12	E	1856	1656	2.87
13	E	1500	1338	22.09
13	E	1500	1338	22.09
14	E	1287	1148	35.84
14	E	1287	1148	35.84
15	E	1173	1047	14.20
15	E	1173	1047	14.20
16	E	953	851	116.39
16	E	953	851	116.40
17	E	395	353	26.90
17	E	395	353	26.90
18	E	251	224	16.82
18	E	251	224	16.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
H2	0.000	0.000	1.492
N3	0.000	1.454	-0.074
N4	1.259	-0.727	-0.074
N5	-1.259	-0.727	-0.074
H6	0.877	1.859	0.366
H7	1.172	-1.690	0.366
H8	-2.049	-0.170	0.366
H9	0.277	1.411	-1.101
H10	1.083	-0.945	-1.101
H11	-1.360	-0.466	-1.101

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1116	1.5229	1.5229	1.5229	2.0561	2.0561	2.0561	2.0642	2.0642	2.0642
H2	1.1116		2.1366	2.1366	2.1366	2.3442	2.3442	2.3442	2.9647	2.9647	2.9647
N3	1.5229	2.1366		2.5176	2.5176	1.0622	3.3831	2.6510	1.0641	2.8253	2.5667
N4	1.5229	2.1366	2.5176		2.5177	2.6510	1.0622	3.3831	2.5667	1.0641	2.8253
N5	1.5229	2.1366	2.5176	2.5177		3.3831	2.6510	1.0622	2.8253	2.5667	1.0641
H6	2.0561	2.3442	1.0622	2.6510	3.3831		3.5612	3.5612	1.6471	3.1717	3.5447
H7	2.0561	2.3442	3.3831	1.0622	2.6510	3.5612		3.5612	3.5447	1.6471	3.1717
H8	2.0561	2.3442	2.6510	3.3831	1.0622	3.5612	3.5612		3.1717	3.5447	1.6471
H9	2.0642	2.9647	1.0641	2.5667	2.8253	1.6471	3.5447	3.1717		2.4905	2.4905
H10	2.0642	2.9647	2.8253	1.0641	2.5667	3.1717	1.6471	3.5447	2.4905		2.4905
H11	2.0642	2.9647	2.5667	2.8253	1.0641	3.5447	3.1717	1.6471	2.4905	2.4905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	103.950	C1	N3	H9	104.456
C1	N4	H7	103.950	C1	N4	H10	104.456
C1	N5	H8	103.950	C1	N5	H11	104.456
H2	C1	N3	107.360	H2	C1	N4	107.360
H2	C1	N5	107.360	N3	C1	N4	111.498
N3	C1	N5	111.498	N4	C1	N5	111.498
H6	N3	H9	101.540	H7	N4	H10	101.540
H8	N5	H11	101.540

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/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	0.126
2	H	0.084
3	N	-0.374
4	N	-0.374
5	N	-0.374
6	H	0.161
7	H	0.161
8	H	0.161
9	H	0.143
10	H	0.143
11	H	0.143

<r²>	85.576
(<r²>)^1/2	9.251

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)