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	hartrees
Energy at 0K	-206.094661
Energy at 298.15K	-206.104921
HF Energy	-205.354074
Nuclear repulsion energy	137.921349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3435	0.01
2	A	3504	3344	3.06
3	A	3103	2962	31.01
4	A	1662	1586	56.01
5	A	1380	1317	2.52
6	A	964	920	23.67
7	A	887	846	0.38
8	A	572	546	20.43
9	A	337	321	64.52
10	E	3600	3436	0.63
10	E	3600	3436	0.63
11	E	3507	3347	0.48
11	E	3507	3347	0.48
12	E	1670	1594	28.81
12	E	1670	1594	28.81
13	E	1450	1384	27.14
13	E	1450	1384	27.14
14	E	1253	1196	50.28
14	E	1253	1196	50.28
15	E	1071	1022	42.10
15	E	1071	1022	42.10
16	E	932	889	213.56
16	E	932	889	213.56
17	E	457	436	38.41
17	E	457	436	38.41
18	E	283	270	21.60
18	E	283	270	21.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.466
N3	0.000	1.393	-0.054
N4	1.207	-0.697	-0.054
N5	-1.207	-0.697	-0.054
H6	0.884	1.820	0.203
H7	1.134	-1.676	0.203
H8	-2.018	-0.144	0.203
H9	-0.072	1.438	-1.066
H10	1.281	-0.657	-1.066
H11	-1.210	-0.781	-1.066

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0921	1.4576	1.4576	1.4576	2.0308	2.0308	2.0308	2.0370	2.0370	2.0370
H2	1.0921		2.0620	2.0620	2.0620	2.3854	2.3854	2.3854	2.9135	2.9135	2.9135
N3	1.4576	2.0620		2.4134	2.4134	1.0150	3.2822	2.5502	1.0162	2.6215	2.6866
N4	1.4576	2.0620	2.4134		2.4134	2.5502	1.0150	3.2822	2.6866	1.0162	2.6215
N5	1.4576	2.0620	2.4134	2.4134		3.2822	2.5502	1.0150	2.6215	2.6866	1.0162
H6	2.0308	2.3854	1.0150	2.5502	3.2822		3.5049	3.5049	1.6344	2.8117	3.5727
H7	2.0308	2.3854	3.2822	1.0150	2.5502	3.5049		3.5049	3.5727	1.6344	2.8117
H8	2.0308	2.3854	2.5502	3.2822	1.0150	3.5049	3.5049		2.8117	3.5727	1.6344
H9	2.0370	2.9135	1.0162	2.6866	2.6215	1.6344	3.5727	2.8117		2.4944	2.4944
H10	2.0370	2.9135	2.6215	1.0162	2.6866	2.8117	1.6344	3.5727	2.4944		2.4944
H11	2.0370	2.9135	2.6866	2.6215	1.0162	3.5727	2.8117	1.6344	2.4944	2.4944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.118	C1	N3	H9	109.566
C1	N4	H7	109.118	C1	N4	H10	109.566
C1	N5	H8	109.118	C1	N5	H11	109.566
H2	C1	N3	107.074	H2	C1	N4	107.074
H2	C1	N5	107.074	N3	C1	N4	111.759
N3	C1	N5	111.759	N4	C1	N5	111.759
H6	N3	H9	107.156	H7	N4	H10	107.156
H8	N5	H11	107.156

All results from a given calculation for CH₇N₃ (triaminomethane)

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

using model chemistry: CCSD/TZVP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)