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	hartrees
Energy at 0K	-206.466000
Energy at 298.15K	-206.476011
HF Energy	-206.466000
Nuclear repulsion energy	136.836470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3507	3446	0.00
2	A	3401	3343	9.17
3	A	2999	2948	32.13
4	A	1623	1596	63.69
5	A	1324	1301	1.67
6	A	897	882	19.99
7	A	826	812	4.29
8	A	552	543	13.96
9	A	313	307	64.07
10	E	3507	3447	0.64
10	E	3507	3447	0.63
11	E	3405	3347	2.58
11	E	3405	3347	2.58
12	E	1633	1605	29.05
12	E	1633	1605	29.05
13	E	1382	1358	25.90
13	E	1382	1358	25.90
14	E	1183	1163	48.45
14	E	1183	1163	48.45
15	E	1005	988	64.10
15	E	1005	988	64.11
16	E	852	838	229.80
16	E	852	838	229.80
17	E	436	428	39.63
17	E	436	428	39.62
18	E	270	265	24.77
18	E	270	265	24.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.468
N3	0.000	1.405	-0.054
N4	1.217	-0.703	-0.054
N5	-1.217	-0.703	-0.054
H6	0.877	1.846	0.230
H7	1.160	-1.683	0.230
H8	-2.037	-0.163	0.230
H9	-0.051	1.465	-1.074
H10	1.294	-0.688	-1.074
H11	-1.243	-0.777	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1010	1.4671	1.4671	1.4671	2.0482	2.0482	2.0482	2.0557	2.0557	2.0557
H2	1.1010		2.0718	2.0718	2.0718	2.3895	2.3895	2.3895	2.9345	2.9345	2.9345
N3	1.4671	2.0718		2.4340	2.4340	1.0219	3.3107	2.5865	1.0228	2.6643	2.7104
N4	1.4671	2.0718	2.4340		2.4340	2.5865	1.0219	3.3107	2.7104	1.0228	2.6643
N5	1.4671	2.0718	2.4340	2.4340		3.3107	2.5865	1.0219	2.6643	2.7104	1.0228
H6	2.0482	2.3895	1.0219	2.5865	3.3107		3.5396	3.5396	1.6451	2.8801	3.6156
H7	2.0482	2.3895	3.3107	1.0219	2.5865	3.5396		3.5396	3.6156	1.6451	2.8801
H8	2.0482	2.3895	2.5865	3.3107	1.0219	3.5396	3.5396		2.8801	3.6156	1.6451
H9	2.0557	2.9345	1.0228	2.7104	2.6643	1.6451	3.6156	2.8801		2.5390	2.5390
H10	2.0557	2.9345	2.6643	1.0228	2.7104	2.8801	1.6451	3.6156	2.5390		2.5390
H11	2.0557	2.9345	2.7104	2.6643	1.0228	3.6156	2.8801	1.6451	2.5390	2.5390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.448	C1	N3	H9	110.019
C1	N4	H7	109.448	C1	N4	H10	110.019
C1	N5	H8	109.448	C1	N5	H11	110.019
H2	C1	N3	106.692	H2	C1	N4	106.692
H2	C1	N5	106.692	N3	C1	N4	112.101
N3	C1	N5	112.101	N4	C1	N5	112.101
H6	N3	H9	107.132	H7	N4	H10	107.132
H8	N5	H11	107.132

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B97D3/6-31+G**

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	-0.132
2	H	0.144
3	N	-0.580
4	N	-0.580
5	N	-0.580
6	H	0.298
7	H	0.298
8	H	0.298
9	H	0.278
10	H	0.278
11	H	0.278

	x	y	z
x	6.790	0.000	-0.000
y	0.000	6.791	-0.000
z	-0.000	-0.000	5.953

<r²>	83.747
(<r²>)^1/2	9.151

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)