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	hartrees
Energy at 0K	-205.586060
Energy at 298.15K	-205.596020
HF Energy	-205.586060
Nuclear repulsion energy	138.783737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3477	3443	0.92
2	A	3377	3344	3.35
3	A	2926	2898	25.00
4	A	1551	1536	62.79
5	A	1299	1287	0.97
6	A	909	900	6.91
7	A	809	801	15.72
8	A	557	551	12.92
9	A	317	314	45.41
10	E	3479	3445	1.29
10	E	3479	3445	1.29
11	E	3383	3351	0.35
11	E	3383	3351	0.35
12	E	1562	1547	33.15
12	E	1562	1547	33.15
13	E	1343	1330	22.64
13	E	1343	1330	22.63
14	E	1199	1187	46.37
14	E	1199	1187	46.38
15	E	1020	1010	30.74
15	E	1020	1010	30.72
16	E	827	819	240.13
16	E	827	819	240.16
17	E	429	425	40.50
17	E	429	425	40.50
18	E	250	247	21.75
18	E	250	247	21.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.477
N3	0.000	1.377	-0.050
N4	1.193	-0.689	-0.050
N5	-1.193	-0.689	-0.050
H6	0.894	1.816	0.188
H7	1.125	-1.682	0.188
H8	-2.019	-0.133	0.188
H9	-0.109	1.424	-1.069
H10	1.288	-0.618	-1.069
H11	-1.179	-0.806	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1069	1.4397	1.4397	1.4397	2.0321	2.0321	2.0321	2.0273	2.0273	2.0273
H2	1.1069		2.0563	2.0563	2.0563	2.3997	2.3997	2.3997	2.9190	2.9190	2.9190
N3	1.4397	2.0563		2.3851	2.3851	1.0241	3.2684	2.5329	1.0254	2.5836	2.6822
N4	1.4397	2.0563	2.3851		2.3851	2.5329	1.0241	3.2684	2.6822	1.0254	2.5836
N5	1.4397	2.0563	2.3851	2.3851		3.2684	2.5329	1.0241	2.5836	2.6822	1.0254
H6	2.0321	2.3997	1.0241	2.5329	3.2684		3.5055	3.5055	1.6547	2.7666	3.5709
H7	2.0321	2.3997	3.2684	1.0241	2.5329	3.5055		3.5055	3.5709	1.6547	2.7666
H8	2.0321	2.3997	2.5329	3.2684	1.0241	3.5055	3.5055		2.7666	3.5709	1.6547
H9	2.0273	2.9190	1.0254	2.6822	2.5836	1.6547	3.5709	2.7666		2.4738	2.4738
H10	2.0273	2.9190	2.5836	1.0254	2.6822	2.7666	1.6547	3.5709	2.4738		2.4738
H11	2.0273	2.9190	2.6822	2.5836	1.0254	3.5709	2.7666	1.6547	2.4738	2.4738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.982	C1	N3	H9	109.502
C1	N4	H7	109.982	C1	N4	H10	109.502
C1	N5	H8	109.982	C1	N5	H11	109.502
H2	C1	N3	106.971	H2	C1	N4	106.971
H2	C1	N5	106.971	N3	C1	N4	111.851
N3	C1	N5	111.851	N4	C1	N5	111.851
H6	N3	H9	107.683	H7	N4	H10	107.683
H8	N5	H11	107.683

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: SVWN/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	0.027
2	H	0.115
3	N	-0.307
4	N	-0.307
5	N	-0.307
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.115
10	H	0.115
11	H	0.115

<r²>	81.033
(<r²>)^1/2	9.002

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)