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	hartrees
Energy at 0K	-206.441514
Energy at 298.15K
HF Energy	-206.189276
Nuclear repulsion energy	137.764597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3575	3575	0.12
2	A	3484	3484	5.05
3	A	3073	3073	35.50
4	A	1653	1653	54.38
5	A	1371	1371	1.33
6	A	946	946	16.94
7	A	876	876	0.07
8	A	560	560	19.16
9	A	322	322	63.03
10	E	3575	3575	0.28
10	E	3575	3575	0.28
11	E	3487	3487	0.24
11	E	3487	3487	0.24
12	E	1663	1663	26.64
12	E	1663	1663	26.64
13	E	1433	1433	21.50
13	E	1433	1433	21.50
14	E	1235	1235	52.46
14	E	1235	1235	52.46
15	E	1056	1056	50.81
15	E	1056	1056	50.80
16	E	913	913	226.38
16	E	913	913	226.38
17	E	444	444	38.88
17	E	444	444	38.88
18	E	285	285	21.77
18	E	285	285	21.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.463
N3	0.000	1.396	-0.054
N4	1.209	-0.698	-0.054
N5	-1.209	-0.698	-0.054
H6	0.879	1.825	0.221
H7	1.141	-1.674	0.221
H8	-2.020	-0.151	0.221
H9	-0.039	1.437	-1.070
H10	1.264	-0.685	-1.070
H11	-1.225	-0.752	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0936	1.4591	1.4591	1.4591	2.0308	2.0308	2.0308	2.0347	2.0347	2.0347
H2	1.0936		2.0621	2.0621	2.0621	2.3759	2.3759	2.3759	2.9128	2.9128	2.9128
N3	1.4591	2.0621		2.4182	2.4182	1.0159	3.2863	2.5591	1.0171	2.6384	2.6737
N4	1.4591	2.0621	2.4182		2.4182	2.5591	1.0159	3.2863	2.6737	1.0171	2.6384
N5	1.4591	2.0621	2.4182	2.4182		3.2863	2.5591	1.0159	2.6384	2.6737	1.0171
H6	2.0308	2.3759	1.0159	2.5591	3.2863		3.5080	3.5080	1.6305	2.8484	3.5687
H7	2.0308	2.3759	3.2863	1.0159	2.5591	3.5080		3.5080	3.5687	1.6305	2.8484
H8	2.0308	2.3759	2.5591	3.2863	1.0159	3.5080	3.5080		2.8484	3.5687	1.6305
H9	2.0347	2.9128	1.0171	2.6737	2.6384	1.6305	3.5687	2.8484		2.4906	2.4906
H10	2.0347	2.9128	2.6384	1.0171	2.6737	2.8484	1.6305	3.5687	2.4906		2.4906
H11	2.0347	2.9128	2.6737	2.6384	1.0171	3.5687	2.8484	1.6305	2.4906	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.954	C1	N3	H9	109.205
C1	N4	H7	108.954	C1	N4	H10	109.204
C1	N5	H8	108.954	C1	N5	H11	109.205
H2	C1	N3	106.892	H2	C1	N4	106.892
H2	C1	N5	106.892	N3	C1	N4	111.922
N3	C1	N5	111.922	N4	C1	N5	111.922
H6	N3	H9	106.650	H7	N4	H10	106.650
H8	N5	H11	106.650

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)