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	hartrees
Energy at 0K	-206.018018
Energy at 298.15K	-206.028073
HF Energy	-205.317092
Nuclear repulsion energy	137.145347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3429	2.72
2	A	3466	3324	2.54
3	A	3098	2971	23.05
4	A	1620	1553	48.56
5	A	1341	1286	0.87
6	A	926	888	16.93
7	A	852	817	2.70
8	A	547	525	12.75
9	A	299	287	60.48
10	E	3577	3430	1.97
10	E	3577	3430	1.97
11	E	3472	3330	0.89
11	E	3472	3330	0.89
12	E	1630	1563	26.71
12	E	1630	1563	26.71
13	E	1407	1349	20.36
13	E	1407	1349	20.36
14	E	1219	1169	53.51
14	E	1219	1169	53.51
15	E	1049	1006	37.54
15	E	1049	1006	37.54
16	E	887	850	189.72
16	E	887	850	189.72
17	E	438	420	38.89
17	E	438	420	38.89
18	E	260	249	19.28
18	E	260	249	19.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.474
N3	0.000	1.401	-0.054
N4	1.213	-0.701	-0.054
N5	-1.213	-0.701	-0.054
H6	0.887	1.833	0.218
H7	1.144	-1.684	0.218
H8	-2.030	-0.148	0.218
H9	-0.041	1.444	-1.076
H10	1.271	-0.687	-1.076
H11	-1.230	-0.758	-1.076

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1022	1.4644	1.4644	1.4644	2.0415	2.0415	2.0415	2.0458	2.0458	2.0458
H2	1.1022		2.0734	2.0734	2.0734	2.3921	2.3921	2.3921	2.9313	2.9313	2.9313
N3	1.4644	2.0734		2.4267	2.4267	1.0228	3.3015	2.5685	1.0238	2.6496	2.6869
N4	1.4644	2.0734	2.4267		2.4267	2.5685	1.0228	3.3015	2.6869	1.0238	2.6496
N5	1.4644	2.0734	2.4267	2.4267		3.3015	2.5685	1.0228	2.6496	2.6869	1.0238
H6	2.0415	2.3921	1.0228	2.5685	3.3015		3.5260	3.5260	1.6388	2.8582	3.5869
H7	2.0415	2.3921	3.3015	1.0228	2.5685	3.5260		3.5260	3.5869	1.6388	2.8582
H8	2.0415	2.3921	2.5685	3.3015	1.0228	3.5260	3.5260		2.8582	3.5869	1.6388
H9	2.0458	2.9313	1.0238	2.6869	2.6496	1.6388	3.5869	2.8582		2.5030	2.5030
H10	2.0458	2.9313	2.6496	1.0238	2.6869	2.8582	1.6388	3.5869	2.5030		2.5030
H11	2.0458	2.9313	2.6869	2.6496	1.0238	3.5869	2.8582	1.6388	2.5030	2.5030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.035	C1	N3	H9	109.332
C1	N4	H7	109.035	C1	N4	H10	109.332
C1	N5	H8	109.035	C1	N5	H11	109.332
H2	C1	N3	106.915	H2	C1	N4	106.915
H2	C1	N5	106.915	N3	C1	N4	111.902
N3	C1	N5	111.902	N4	C1	N5	111.902
H6	N3	H9	106.402	H7	N4	H10	106.402
H8	N5	H11	106.402

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)