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	hartrees
Energy at 0K	-206.179644
Energy at 298.15K	-206.189714
HF Energy	-205.360967
Nuclear repulsion energy	138.154679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3613	3409	6.59
2	A	3506	3308	0.78
3	A	3102	2926	19.59
4	A	1637	1544	54.07
5	A	1351	1275	1.62
6	A	930	877	16.25
7	A	852	803	6.87
8	A	556	524	12.08
9	A	307	289	58.42
10	E	3614	3410	3.66
10	E	3614	3410	3.66
11	E	3513	3314	1.25
11	E	3513	3314	1.25
12	E	1647	1554	29.74
12	E	1647	1554	29.74
13	E	1424	1344	20.53
13	E	1424	1344	20.53
14	E	1229	1159	54.67
14	E	1229	1159	54.67
15	E	1055	995	39.36
15	E	1055	995	39.36
16	E	882	832	203.57
16	E	882	832	203.57
17	E	445	420	41.18
17	E	445	420	41.18
18	E	257	242	20.41
18	E	257	242	20.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.463
N3	0.000	1.390	-0.054
N4	1.203	-0.695	-0.054
N5	-1.203	-0.695	-0.054
H6	0.876	1.828	0.212
H7	1.146	-1.672	0.212
H8	-2.021	-0.156	0.212
H9	-0.064	1.440	-1.066
H10	1.279	-0.664	-1.066
H11	-1.215	-0.775	-1.066

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0911	1.4534	1.4534	1.4534	2.0336	2.0336	2.0336	2.0360	2.0360	2.0360
H2	1.0911		2.0574	2.0574	2.0574	2.3824	2.3824	2.3824	2.9112	2.9112	2.9112
N3	1.4534	2.0574		2.4068	2.4068	1.0149	3.2802	2.5583	1.0155	2.6227	2.6807
N4	1.4534	2.0574	2.4068		2.4068	2.5583	1.0149	3.2802	2.6807	1.0155	2.6227
N5	1.4534	2.0574	2.4068	2.4068		3.2802	2.5583	1.0149	2.6227	2.6807	1.0155
H6	2.0336	2.3824	1.0149	2.5583	3.2802		3.5114	3.5114	1.6332	2.8304	3.5752
H7	2.0336	2.3824	3.2802	1.0149	2.5583	3.5114		3.5114	3.5752	1.6332	2.8303
H8	2.0336	2.3824	2.5583	3.2802	1.0149	3.5114	3.5114		2.8304	3.5752	1.6332
H9	2.0360	2.9112	1.0155	2.6807	2.6227	1.6332	3.5752	2.8304		2.4959	2.4959
H10	2.0360	2.9112	2.6227	1.0155	2.6807	2.8304	1.6332	3.5752	2.4959		2.4959
H11	2.0360	2.9112	2.6807	2.6227	1.0155	3.5752	2.8303	1.6332	2.4959	2.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.676	C1	N3	H9	109.839
C1	N4	H7	109.676	C1	N4	H10	109.839
C1	N5	H8	109.676	C1	N5	H11	109.839
H2	C1	N3	107.049	H2	C1	N4	107.049
H2	C1	N5	107.049	N3	C1	N4	111.781
N3	C1	N5	111.781	N4	C1	N5	111.781
H6	N3	H9	107.103	H7	N4	H10	107.103
H8	N5	H11	107.103

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)