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	hartrees
Energy at 0K	-205.367393
Energy at 298.15K	-205.377711
HF Energy	-205.367393
Nuclear repulsion energy	138.923481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3793	3453	3.51	81.20	0.56	0.72
2	A	3707	3375	0.46	268.56	0.02	0.03
3	A	3203	2916	41.18	107.39	0.22	0.37
4	A	1781	1621	46.99	0.24	0.70	0.82
5	A	1455	1325	5.28	1.97	0.04	0.08
6	A	978	890	24.26	10.77	0.10	0.18
7	A	922	839	6.24	2.46	0.16	0.27
8	A	592	539	10.54	2.50	0.04	0.07
9	A	314	285	66.13	0.01	0.49	0.65
10	E	3792	3452	3.12	37.49	0.75	0.86
10	E	3792	3452	3.12	37.49	0.75	0.86
11	E	3707	3375	2.62	20.21	0.75	0.86
11	E	3707	3375	2.62	20.21	0.75	0.86
12	E	1790	1629	37.87	2.30	0.75	0.86
12	E	1790	1629	37.87	2.30	0.75	0.86
13	E	1546	1407	28.82	3.41	0.75	0.86
13	E	1546	1407	28.82	3.41	0.75	0.86
14	E	1308	1190	72.60	2.32	0.75	0.86
14	E	1308	1190	72.60	2.32	0.75	0.86
15	E	1123	1023	62.13	4.39	0.75	0.86
15	E	1123	1023	62.13	4.39	0.75	0.86
16	E	953	867	199.50	0.15	0.75	0.86
16	E	953	867	199.50	0.15	0.75	0.86
17	E	478	435	37.97	0.48	0.75	0.86
17	E	478	435	37.97	0.48	0.75	0.86
18	E	273	249	20.45	0.49	0.75	0.86
18	E	273	249	20.45	0.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.447
N3	0.000	1.384	-0.057
N4	1.198	-0.692	-0.057
N5	-1.198	-0.692	-0.057
H6	0.840	1.839	0.234
H7	1.173	-1.647	0.234
H8	-2.013	-0.192	0.234
H9	-0.062	1.460	-1.052
H10	1.295	-0.677	-1.052
H11	-1.234	-0.784	-1.052

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0818	1.4465	1.4465	1.4465	2.0259	2.0259	2.0259	2.0355	2.0355	2.0355
H2	1.0818		2.0434	2.0434	2.0434	2.3575	2.3575	2.3575	2.8947	2.8947	2.8947
N3	1.4465	2.0434		2.3966	2.3966	0.9987	3.2624	2.5725	0.9999	2.6292	2.6849
N4	1.4465	2.0434	2.3966		2.3966	2.5725	0.9987	3.2624	2.6849	0.9999	2.6292
N5	1.4465	2.0434	2.3966	2.3966		3.2624	2.5725	0.9987	2.6292	2.6849	0.9999
H6	2.0259	2.3575	0.9987	2.5725	3.2624		3.5016	3.5016	1.6156	2.8616	3.5820
H7	2.0259	2.3575	3.2624	0.9987	2.5725	3.5016		3.5016	3.5820	1.6156	2.8616
H8	2.0259	2.3575	2.5725	3.2624	0.9987	3.5016	3.5016		2.8616	3.5820	1.6156
H9	2.0355	2.8947	0.9999	2.6849	2.6292	1.6156	3.5820	2.8616		2.5313	2.5313
H10	2.0355	2.8947	2.6292	0.9999	2.6849	2.8616	1.6156	3.5820	2.5313		2.5313
H11	2.0355	2.8947	2.6849	2.6292	0.9999	3.5820	2.8616	1.6156	2.5313	2.5313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.558	C1	N3	H9	111.307
C1	N4	H7	110.558	C1	N4	H10	111.307
C1	N5	H8	110.558	C1	N5	H11	111.307
H2	C1	N3	106.954	H2	C1	N4	106.954
H2	C1	N5	106.954	N3	C1	N4	111.867
N3	C1	N5	111.867	N4	C1	N5	111.867
H6	N3	H9	107.880	H7	N4	H10	107.880
H8	N5	H11	107.880

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/aug-cc-pVTZ

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	0.875
2	H	0.436
3	N	-0.652
4	N	-0.652
5	N	-0.652
6	H	0.105
7	H	0.105
8	H	0.105
9	H	0.110
10	H	0.110
11	H	0.110

<r²>	81.494
(<r²>)^1/2	9.027

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)