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	hartrees
Energy at 0K	-205.224377
Energy at 298.15K	-205.234268
HF Energy	-205.224377
Nuclear repulsion energy	137.496354

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	3914	3524	7.30	69.09	0.68	0.81
2	A	3780	3403	0.30	225.71	0.01	0.01
3	A	3304	2975	70.42	108.78	0.18	0.31
4	A	1818	1637	53.73	0.36	0.71	0.83
5	A	1417	1276	28.57	0.20	0.32	0.48
6	A	963	867	11.60	8.35	0.08	0.15
7	A	711	640	149.73	8.29	0.05	0.09
8	A	569	513	11.32	1.65	0.68	0.81
9	A	329	296	33.28	4.77	0.63	0.77
10	E	3914	3524	5.41	46.54	0.75	0.86
10	E	3914	3524	5.41	46.54	0.75	0.86
11	E	3781	3404	2.74	39.21	0.75	0.86
11	E	3781	3404	2.74	39.21	0.75	0.86
12	E	1817	1636	55.45	6.18	0.75	0.86
12	E	1817	1636	55.45	6.18	0.75	0.86
13	E	1548	1394	33.37	5.12	0.75	0.86
13	E	1548	1394	33.37	5.12	0.75	0.86
14	E	1320	1188	116.72	5.26	0.75	0.86
14	E	1320	1188	116.72	5.26	0.75	0.86
15	E	1107	996	42.07	8.73	0.75	0.86
15	E	1107	996	42.07	8.73	0.75	0.86
16	E	711	640	378.77	0.79	0.75	0.86
16	E	711	640	378.77	0.79	0.75	0.86
17	E	457	412	80.37	1.85	0.75	0.86
17	E	457	412	80.37	1.85	0.75	0.86
18	E	225	203	49.68	4.24	0.75	0.86
18	E	225	203	49.68	4.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.449
N3	0.000	1.392	-0.065
N4	1.205	-0.696	-0.065
N5	-1.205	-0.696	-0.065
H6	0.779	1.935	0.243
H7	1.287	-1.642	0.243
H8	-2.065	-0.293	0.243
H9	-0.260	1.553	-1.015
H10	1.475	-0.551	-1.015
H11	-1.215	-1.002	-1.015

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0782	1.4582	1.4582	1.4582	2.0900	2.0900	2.0900	2.0983	2.0983	2.0983
H2	1.0782		2.0565	2.0565	2.0565	2.4100	2.4100	2.4100	2.9250	2.9250	2.9250
N3	1.4582	2.0565		2.4102	2.4102	0.9982	3.3094	2.6831	0.9987	2.6181	2.8477
N4	1.4582	2.0565	2.4102		2.4102	2.6831	0.9982	3.3094	2.8477	0.9987	2.6181
N5	1.4582	2.0565	2.4102	2.4102		3.3094	2.6831	0.9982	2.6181	2.8477	0.9987
H6	2.0900	2.4100	0.9982	2.6831	3.3094		3.6132	3.6132	1.6756	2.8725	3.7664
H7	2.0900	2.4100	3.3094	0.9982	2.6831	3.6132		3.6132	3.7664	1.6756	2.8725
H8	2.0900	2.4100	2.6831	3.3094	0.9982	3.6132	3.6132		2.8725	3.7664	1.6756
H9	2.0983	2.9250	0.9987	2.8477	2.6181	1.6756	3.7664	2.8725		2.7280	2.7280
H10	2.0983	2.9250	2.6181	0.9987	2.8477	2.8725	1.6756	3.7664	2.7280		2.7280
H11	2.0983	2.9250	2.8477	2.6181	0.9987	3.7664	2.8725	1.6756	2.7280	2.7280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	115.328	C1	N3	H9	116.052
C1	N4	H7	115.328	C1	N4	H10	116.052
C1	N5	H8	115.328	C1	N5	H11	116.052
H2	C1	N3	107.398	H2	C1	N4	107.398
H2	C1	N5	107.398	N3	C1	N4	111.463
N3	C1	N5	111.463	N4	C1	N5	111.463
H6	N3	H9	114.091	H7	N4	H10	114.091
H8	N5	H11	114.091

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/SDD

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	0.128
2	H	0.197
3	N	-0.727
4	N	-0.727
5	N	-0.727
6	H	0.320
7	H	0.320
8	H	0.320
9	H	0.298
10	H	0.298
11	H	0.298

<r²>	83.236
(<r²>)^1/2	9.123

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)