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	hartrees
Energy at 0K	-206.570939
Energy at 298.15K	-206.581045
HF Energy	-206.570939
Nuclear repulsion energy	137.902748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3452	0.21
2	A	3485	3361	2.66
3	A	3047	2938	31.34
4	A	1646	1587	58.47
5	A	1352	1304	2.80
6	A	917	884	16.81
7	A	846	816	8.88
8	A	562	542	16.14
9	A	322	311	62.70
10	E	3580	3452	0.66
10	E	3580	3452	0.66
11	E	3489	3364	0.13
11	E	3489	3364	0.13
12	E	1653	1594	32.19
12	E	1653	1594	32.18
13	E	1415	1365	23.61
13	E	1415	1365	23.60
14	E	1219	1175	54.23
14	E	1219	1175	54.24
15	E	1041	1003	49.09
15	E	1041	1003	49.09
16	E	866	835	234.62
16	E	866	835	234.61
17	E	444	428	41.36
17	E	444	428	41.35
18	E	270	260	22.46
18	E	270	260	22.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.460
N3	0.000	1.393	-0.054
N4	1.206	-0.696	-0.054
N5	-1.206	-0.696	-0.054
H6	0.867	1.840	0.228
H7	1.160	-1.670	0.228
H8	-2.026	-0.169	0.228
H9	-0.064	1.458	-1.066
H10	1.295	-0.674	-1.066
H11	-1.231	-0.785	-1.066

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0951	1.4544	1.4544	1.4544	2.0381	2.0381	2.0381	2.0438	2.0438	2.0438
H2	1.0951		2.0572	2.0572	2.0572	2.3778	2.3778	2.3778	2.9171	2.9171	2.9171
N3	1.4544	2.0572		2.4122	2.4122	1.0148	3.2873	2.5740	1.0157	2.6400	2.6979
N4	1.4544	2.0572	2.4122		2.4122	2.5740	1.0148	3.2873	2.6979	1.0157	2.6400
N5	1.4544	2.0572	2.4122	2.4122		3.2873	2.5740	1.0148	2.6400	2.6979	1.0157
H6	2.0381	2.3778	1.0148	2.5740	3.2873		3.5220	3.5220	1.6382	2.8587	3.5996
H7	2.0381	2.3778	3.2873	1.0148	2.5740	3.5220		3.5220	3.5996	1.6382	2.8587
H8	2.0381	2.3778	2.5740	3.2873	1.0148	3.5220	3.5220		2.8587	3.5996	1.6382
H9	2.0438	2.9171	1.0157	2.6979	2.6400	1.6382	3.5996	2.8587		2.5281	2.5281
H10	2.0438	2.9171	2.6400	1.0157	2.6979	2.8587	1.6382	3.5996	2.5281		2.5281
H11	2.0438	2.9171	2.6979	2.6400	1.0157	3.5996	2.8587	1.6382	2.5281	2.5281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.985	C1	N3	H9	110.404
C1	N4	H7	109.985	C1	N4	H10	110.404
C1	N5	H8	109.985	C1	N5	H11	110.404
H2	C1	N3	106.743	H2	C1	N4	106.743
H2	C1	N5	106.743	N3	C1	N4	112.056
N3	C1	N5	112.056	N4	C1	N5	112.056
H6	N3	H9	107.565	H7	N4	H10	107.565
H8	N5	H11	107.565

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3PW91/TZVP

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	-0.104
2	H	0.143
3	N	-0.405
4	N	-0.405
5	N	-0.405
6	H	0.206
7	H	0.206
8	H	0.206
9	H	0.186
10	H	0.186
11	H	0.186

<r²>	82.231
(<r²>)^1/2	9.068

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)