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	hartrees
Energy at 0K	-206.110277
Energy at 298.15K	-206.120483
HF Energy	-205.302547
Nuclear repulsion energy	137.975161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3418	0.10
2	A	3517	3332	1.57
3	A	3100	2937	30.56
4	A	1678	1589	47.68
5	A	1391	1318	1.85
6	A	974	923	11.14
7	A	892	845	0.50
8	A	563	533	19.07
9	A	306	290	68.36
10	E	3608	3418	0.69
10	E	3608	3418	0.69
11	E	3519	3334	0.20
11	E	3519	3334	0.20
12	E	1690	1601	24.40
12	E	1690	1601	24.40
13	E	1451	1375	25.90
13	E	1451	1375	25.90
14	E	1255	1189	55.28
14	E	1255	1189	55.28
15	E	1081	1024	34.37
15	E	1081	1024	34.37
16	E	950	900	211.14
16	E	950	900	211.14
17	E	448	424	35.09
17	E	448	424	35.09
18	E	284	269	19.31
18	E	284	269	19.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.466
N3	0.000	1.394	-0.055
N4	1.207	-0.697	-0.055
N5	-1.207	-0.697	-0.055
H6	0.884	1.812	0.222
H7	1.128	-1.671	0.222
H8	-2.011	-0.141	0.222
H9	-0.014	1.424	-1.071
H10	1.240	-0.700	-1.071
H11	-1.227	-0.724	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0947	1.4578	1.4578	1.4578	2.0219	2.0219	2.0219	2.0271	2.0271	2.0271
H2	1.0947		2.0629	2.0629	2.0629	2.3693	2.3693	2.3693	2.9094	2.9094	2.9094
N3	1.4578	2.0629		2.4149	2.4149	1.0158	3.2781	2.5454	1.0169	2.6380	2.6505
N4	1.4578	2.0629	2.4149		2.4149	2.5454	1.0158	3.2781	2.6505	1.0169	2.6380
N5	1.4578	2.0629	2.4149	2.4149		3.2781	2.5454	1.0158	2.6380	2.6505	1.0169
H6	2.0219	2.3693	1.0158	2.5454	3.2781		3.4924	3.4924	1.6206	2.8482	3.5437
H7	2.0219	2.3693	3.2781	1.0158	2.5454	3.4924		3.4924	3.5437	1.6206	2.8482
H8	2.0219	2.3693	2.5454	3.2781	1.0158	3.4924	3.4924		2.8482	3.5437	1.6206
H9	2.0271	2.9094	1.0169	2.6505	2.6380	1.6206	3.5437	2.8482		2.4673	2.4673
H10	2.0271	2.9094	2.6380	1.0169	2.6505	2.8482	1.6206	3.5437	2.4673		2.4673
H11	2.0271	2.9094	2.6505	2.6380	1.0169	3.5437	2.8482	1.6206	2.4673	2.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.323	C1	N3	H9	108.683
C1	N4	H7	108.323	C1	N4	H10	108.683
C1	N5	H8	108.323	C1	N5	H11	108.683
H2	C1	N3	106.981	H2	C1	N4	106.981
H2	C1	N5	106.981	N3	C1	N4	111.842
N3	C1	N5	111.842	N4	C1	N5	111.842
H6	N3	H9	105.736	H7	N4	H10	105.736
H8	N5	H11	105.736

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)