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	hartrees
Energy at 0K	-206.512833
Energy at 298.15K	-206.522981
HF Energy	-206.512833
Nuclear repulsion energy	137.760574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3596	3.24
2	A	3497	3497	1.46
3	A	3091	3091	27.40
4	A	1617	1617	49.19
5	A	1343	1343	2.30
6	A	928	928	14.17
7	A	867	867	8.15
8	A	559	559	12.22
9	A	309	309	54.43
10	E	3582	3582	3.13
10	E	3579	3579	3.10
11	E	3489	3489	1.54
11	E	3486	3486	1.43
12	E	1629	1629	35.23
12	E	1627	1627	35.00
13	E	1404	1404	22.93
13	E	1403	1403	22.35
14	E	1224	1224	60.47
14	E	1223	1223	60.80
15	E	1056	1056	38.09
15	E	1052	1052	37.49
16	E	894	894	191.76
16	E	891	891	194.24
17	E	450	450	37.36
17	E	449	449	38.48
18	E	281	281	22.39
18	E	272	272	18.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.469
N3	0.000	1.394	-0.054
N4	1.207	-0.697	-0.054
N5	-1.207	-0.697	-0.054
H6	0.877	1.830	0.221
H7	1.147	-1.675	0.221
H8	-2.024	-0.155	0.221
H9	-0.049	1.444	-1.071
H10	1.275	-0.679	-1.071
H11	-1.226	-0.765	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0984	1.4570	1.4570	1.4570	2.0353	2.0353	2.0353	2.0412	2.0412	2.0412
H2	1.0984		2.0645	2.0645	2.0645	2.3826	2.3826	2.3826	2.9224	2.9224	2.9224
N3	1.4570	2.0645		2.4139	2.4139	1.0180	3.2875	2.5636	1.0194	2.6378	2.6826
N4	1.4570	2.0645	2.4139		2.4139	2.5636	1.0180	3.2875	2.6826	1.0194	2.6378
N5	1.4570	2.0645	2.4139	2.4139		3.2875	2.5636	1.0180	2.6378	2.6826	1.0194
H6	2.0353	2.3826	1.0180	2.5636	3.2875		3.5158	3.5158	1.6367	2.8510	3.5819
H7	2.0353	2.3826	3.2875	1.0180	2.5636	3.5158		3.5158	3.5819	1.6367	2.8510
H8	2.0353	2.3826	2.5636	3.2875	1.0180	3.5158	3.5158		2.8510	3.5819	1.6367
H9	2.0412	2.9224	1.0194	2.6826	2.6378	1.6367	3.5819	2.8510		2.5027	2.5027
H10	2.0412	2.9224	2.6378	1.0194	2.6826	2.8510	1.6367	3.5819	2.5027		2.5027
H11	2.0412	2.9224	2.6826	2.6378	1.0194	3.5819	2.8510	1.6367	2.5027	2.5027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.359	C1	N3	H9	109.763
C1	N4	H7	109.359	C1	N4	H10	109.763
C1	N5	H8	109.359	C1	N5	H11	109.763
H2	C1	N3	106.950	H2	C1	N4	106.950
H2	C1	N5	106.950	N3	C1	N4	111.871
N3	C1	N5	111.871	N4	C1	N5	111.871
H6	N3	H9	106.895	H7	N4	H10	106.895
H8	N5	H11	106.895

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.539
2	H	-0.358
3	N	0.053
4	N	0.052
5	N	0.053
6	H	-0.039
7	H	-0.039
8	H	-0.039
9	H	-0.074
10	H	-0.074
11	H	-0.074

	x	y	z	Total
	-0.000	-0.000	-1.559	1.559
CHELPG
AIM
ESP

	x	y	z
x	6.697	0.001	-0.002
y	0.001	6.700	0.000
z	-0.002	0.000	6.007

<r²>	82.490
(<r²>)^1/2	9.082

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)