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	hartrees
Energy at 0K	-206.574671
Energy at 298.15K	-206.584811
HF Energy	-206.574671
Nuclear repulsion energy	137.399556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3547	3408	1.51
2	A	3453	3317	7.15
3	A	3047	2927	38.66
4	A	1652	1587	46.03
5	A	1364	1310	1.61
6	A	937	901	12.65
7	A	866	832	0.00
8	A	559	537	20.09
9	A	313	301	71.40
10	E	3547	3408	0.30
10	E	3547	3408	0.30
11	E	3455	3320	0.96
11	E	3455	3320	0.96
12	E	1664	1599	20.65
12	E	1664	1599	20.65
13	E	1423	1368	27.12
13	E	1423	1368	27.12
14	E	1221	1174	54.95
14	E	1221	1174	54.95
15	E	1044	1004	48.94
15	E	1044	1004	48.94
16	E	905	869	233.66
16	E	905	869	233.66
17	E	441	424	36.49
17	E	441	424	36.49
18	E	287	276	20.97
18	E	287	276	20.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.464
N3	0.000	1.400	-0.054
N4	1.213	-0.700	-0.054
N5	-1.213	-0.700	-0.054
H6	0.879	1.829	0.234
H7	1.144	-1.676	0.234
H8	-2.023	-0.153	0.234
H9	-0.017	1.445	-1.074
H10	1.260	-0.708	-1.074
H11	-1.243	-0.737	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0976	1.4620	1.4620	1.4620	2.0333	2.0333	2.0332	2.0400	2.0400	2.0400
H2	1.0976		2.0651	2.0651	2.0651	2.3727	2.3727	2.3727	2.9202	2.9202	2.9202
N3	1.4620	2.0651		2.4254	2.4254	1.0194	3.2944	2.5668	1.0208	2.6591	2.6747
N4	1.4620	2.0651	2.4254		2.4254	2.5668	1.0194	3.2944	2.6747	1.0208	2.6591
N5	1.4620	2.0651	2.4254	2.4254		3.2944	2.5668	1.0194	2.6591	2.6747	1.0208
H6	2.0333	2.3727	1.0194	2.5668	3.2944		3.5142	3.5142	1.6310	2.8786	3.5772
H7	2.0333	2.3727	3.2944	1.0194	2.5668	3.5142		3.5142	3.5772	1.6310	2.8786
H8	2.0332	2.3727	2.5668	3.2944	1.0194	3.5142	3.5142		2.8786	3.5772	1.6310
H9	2.0400	2.9202	1.0208	2.6747	2.6591	1.6310	3.5772	2.8786		2.5030	2.5030
H10	2.0400	2.9202	2.6591	1.0208	2.6747	2.8786	1.6310	3.5772	2.5030		2.5030
H11	2.0400	2.9202	2.6747	2.6591	1.0208	3.5772	2.8786	1.6310	2.5030	2.5030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.740	C1	N3	H9	109.210
C1	N4	H7	108.740	C1	N4	H10	109.210
C1	N5	H8	108.740	C1	N5	H11	109.210
H2	C1	N3	106.703	H2	C1	N4	106.703
H2	C1	N5	106.703	N3	C1	N4	112.092
N3	C1	N5	112.092	N4	C1	N5	112.092
H6	N3	H9	106.145	H7	N4	H10	106.145
H8	N5	H11	106.145

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/6-31G**

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	0.235
2	H	0.113
3	N	-0.576
4	N	-0.576
5	N	-0.576
6	H	0.244
7	H	0.244
8	H	0.244
9	H	0.217
10	H	0.217
11	H	0.217

<r²>	82.317
(<r²>)^1/2	9.073

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)