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	hartrees
Energy at 0K	-38.512746
Energy at 298.15K	-38.522765
HF Energy	-38.512746
Nuclear repulsion energy	81.180381

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	3859	3521	1.22	81.65	0.66	0.79
2	A	3724	3398	1.21	239.36	0.01	0.02
3	A	3244	2960	60.43	116.94	0.21	0.35
4	A	1822	1662	59.43	0.90	0.50	0.67
5	A	1420	1296	20.51	0.23	0.49	0.66
6	A	962	878	13.65	9.77	0.12	0.21
7	A	750	684	125.88	4.03	0.01	0.02
8	A	574	524	0.32	1.32	0.62	0.76
9	A	336	307	40.94	2.09	0.74	0.85
10	E	3859	3522	1.21	47.37	0.75	0.86
10	E	3859	3522	1.21	47.37	0.75	0.86
11	E	3725	3399	1.07	39.95	0.75	0.86
11	E	3725	3399	1.07	39.95	0.75	0.86
12	E	1822	1662	55.69	5.46	0.75	0.86
12	E	1822	1662	55.69	5.46	0.75	0.86
13	E	1539	1404	35.95	6.15	0.75	0.86
13	E	1539	1404	35.95	6.15	0.75	0.86
14	E	1317	1202	97.16	4.11	0.75	0.86
14	E	1317	1202	97.16	4.11	0.75	0.86
15	E	1110	1013	48.14	7.97	0.75	0.86
15	E	1110	1013	48.14	7.97	0.75	0.86
16	E	754	688	357.43	0.77	0.75	0.86
16	E	754	688	357.43	0.77	0.75	0.86
17	E	456	416	62.12	1.42	0.75	0.86
17	E	456	416	62.12	1.42	0.75	0.86
18	E	230	210	43.33	2.44	0.75	0.86
18	E	230	210	43.33	2.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.457
N3	0.000	1.397	-0.063
N4	1.210	-0.699	-0.063
N5	-1.210	-0.699	-0.063
H6	0.797	1.924	0.229
H7	1.268	-1.653	0.229
H8	-2.065	-0.272	0.229
H9	-0.240	1.543	-1.023
H10	1.456	-0.564	-1.023
H11	-1.217	-0.979	-1.023

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0816	1.4641	1.4641	1.4641	2.0880	2.0880	2.0880	2.0961	2.0961	2.0961
H2	1.0816		2.0642	2.0642	2.0642	2.4178	2.4178	2.4178	2.9304	2.9304	2.9304
N3	1.4641	2.0642		2.4198	2.4198	0.9994	3.3156	2.6710	1.0003	2.6246	2.8369
N4	1.4641	2.0642	2.4198		2.4198	2.6710	0.9994	3.3156	2.8369	1.0003	2.6246
N5	1.4641	2.0642	2.4198	2.4198		3.3156	2.6710	0.9994	2.6246	2.8369	1.0003
H6	2.0880	2.4178	0.9994	2.6710	3.3156		3.6076	3.6076	1.6697	2.8624	3.7487
H7	2.0880	2.4178	3.3156	0.9994	2.6710	3.6076		3.6076	3.7487	1.6697	2.8624
H8	2.0880	2.4178	2.6710	3.3156	0.9994	3.6076	3.6076		2.8624	3.7487	1.6697
H9	2.0961	2.9304	1.0003	2.8369	2.6246	1.6697	3.7487	2.8624		2.7048	2.7048
H10	2.0961	2.9304	2.6246	1.0003	2.8369	2.8624	1.6697	3.7487	2.7048		2.7048
H11	2.0961	2.9304	2.8369	2.6246	1.0003	3.7487	2.8624	1.6697	2.7048	2.7048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.577	C1	N3	H9	115.243
C1	N4	H7	114.577	C1	N4	H10	115.243
C1	N5	H8	114.577	C1	N5	H11	115.243
H2	C1	N3	107.406	H2	C1	N4	107.406
H2	C1	N5	107.406	N3	C1	N4	111.455
N3	C1	N5	111.455	N4	C1	N5	111.455
H6	N3	H9	113.227	H7	N4	H10	113.227
H8	N5	H11	113.227

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/CEP-121G

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	0.138
2	H	0.150
3	N	-0.661
4	N	-0.661
5	N	-0.661
6	H	0.293
7	H	0.293
8	H	0.293
9	H	0.272
10	H	0.272
11	H	0.272

<r²>	71.550
(<r²>)^1/2	8.459

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)