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	hartrees
Energy at 0K	-206.528313
Energy at 298.15K	-206.538516
HF Energy	-206.528313
Nuclear repulsion energy	137.976001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3564	3415	0.12
2	A	3472	3328	4.96
3	A	3055	2928	39.03
4	A	1636	1568	42.39
5	A	1367	1310	0.91
6	A	944	905	10.19
7	A	892	855	0.00
8	A	559	536	18.29
9	A	312	299	62.56
10	E	3564	3415	0.21
10	E	3564	3415	0.21
11	E	3476	3331	0.57
11	E	3476	3331	0.57
12	E	1648	1579	21.38
12	E	1648	1579	21.38
13	E	1414	1355	27.77
13	E	1414	1355	27.77
14	E	1235	1184	60.26
14	E	1235	1184	60.26
15	E	1068	1024	44.05
15	E	1068	1024	44.05
16	E	926	888	201.11
16	E	926	888	201.12
17	E	444	425	35.87
17	E	444	425	35.87
18	E	291	279	19.07
18	E	291	279	19.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.364
H2	0.000	0.000	1.467
N3	0.000	1.392	-0.054
N4	1.206	-0.696	-0.054
N5	-1.206	-0.696	-0.054
H6	0.884	1.815	0.234
H7	1.130	-1.673	0.234
H8	-2.014	-0.142	0.234
H9	0.006	1.427	-1.076
H10	1.233	-0.719	-1.076
H11	-1.239	-0.708	-1.076

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1033	1.4536	1.4536	1.4536	2.0230	2.0230	2.0230	2.0270	2.0270	2.0270
H2	1.1033		2.0618	2.0618	2.0618	2.3656	2.3656	2.3656	2.9159	2.9159	2.9159
N3	1.4536	2.0618		2.4118	2.4118	1.0214	3.2799	2.5478	1.0230	2.6501	2.6443
N4	1.4536	2.0618	2.4118		2.4118	2.5478	1.0214	3.2799	2.6443	1.0230	2.6501
N5	1.4536	2.0618	2.4118	2.4118		3.2799	2.5478	1.0214	2.6501	2.6443	1.0230
H6	2.0230	2.3656	1.0214	2.5478	3.2799		3.4968	3.4968	1.6239	2.8736	3.5481
H7	2.0230	2.3656	3.2799	1.0214	2.5478	3.4968		3.4968	3.5481	1.6239	2.8736
H8	2.0230	2.3656	2.5478	3.2799	1.0214	3.4968	3.4968		2.8736	3.5481	1.6239
H9	2.0270	2.9159	1.0230	2.6443	2.6501	1.6239	3.5481	2.8736		2.4716	2.4716
H10	2.0270	2.9159	2.6501	1.0230	2.6443	2.8736	1.6239	3.5481	2.4716		2.4716
H11	2.0270	2.9159	2.6443	2.6501	1.0230	3.5481	2.8736	1.6239	2.4716	2.4716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.382	C1	N3	H9	108.613
C1	N4	H7	108.382	C1	N4	H10	108.613
C1	N5	H8	108.382	C1	N5	H11	108.613
H2	C1	N3	106.679	H2	C1	N4	106.679
H2	C1	N5	106.679	N3	C1	N4	112.114
N3	C1	N5	112.114	N4	C1	N5	112.114
H6	N3	H9	105.186	H7	N4	H10	105.186
H8	N5	H11	105.186

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	0.056
2	H	0.050
3	N	-0.193
4	N	-0.193
5	N	-0.193
6	H	0.091
7	H	0.091
8	H	0.091
9	H	0.067
10	H	0.067
11	H	0.067

<r²>	81.453
(<r²>)^1/2	9.025

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)