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	hartrees
Energy at 0K	-205.499804
Energy at 298.15K	-205.509874
HF Energy	-205.499804
Nuclear repulsion energy	138.497800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3416	0.17
2	A	3374	3310	7.02
3	A	2948	2893	30.65
4	A	1568	1539	62.65
5	A	1317	1293	0.46
6	A	914	897	6.73
7	A	849	833	6.16
8	A	556	545	24.05
9	A	323	317	62.86
10	E	3483	3418	0.27
10	E	3483	3418	0.27
11	E	3380	3317	1.07
11	E	3380	3317	1.07
12	E	1585	1556	26.54
12	E	1585	1556	26.54
13	E	1359	1334	29.93
13	E	1359	1334	29.93
14	E	1208	1186	52.88
14	E	1208	1186	52.88
15	E	1031	1011	28.56
15	E	1031	1011	28.56
16	E	860	843	254.96
16	E	860	843	254.95
17	E	431	423	42.89
17	E	431	423	42.89
18	E	285	280	23.11
18	E	285	280	23.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.477
N3	0.000	1.382	-0.051
N4	1.196	-0.691	-0.051
N5	-1.196	-0.691	-0.051
H6	0.898	1.808	0.212
H7	1.117	-1.681	0.212
H8	-2.014	-0.127	0.212
H9	-0.050	1.414	-1.079
H10	1.250	-0.664	-1.079
H11	-1.200	-0.750	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1106	1.4434	1.4434	1.4434	2.0242	2.0242	2.0242	2.0232	2.0232	2.0232
H2	1.1106		2.0605	2.0605	2.0605	2.3821	2.3821	2.3821	2.9221	2.9221	2.9221
N3	1.4434	2.0605		2.3928	2.3928	1.0279	3.2706	2.5301	1.0296	2.6081	2.6534
N4	1.4434	2.0605	2.3928		2.3929	2.5301	1.0279	3.2706	2.6534	1.0296	2.6081
N5	1.4434	2.0605	2.3928	2.3929		3.2706	2.5301	1.0279	2.6081	2.6534	1.0296
H6	2.0242	2.3821	1.0279	2.5301	3.2706		3.4958	3.4958	1.6493	2.8108	3.5511
H7	2.0242	2.3821	3.2706	1.0279	2.5301	3.4958		3.4958	3.5511	1.6493	2.8108
H8	2.0242	2.3821	2.5301	3.2706	1.0279	3.4958	3.4958		2.8108	3.5511	1.6493
H9	2.0232	2.9221	1.0296	2.6534	2.6081	1.6493	3.5511	2.8108		2.4510	2.4510
H10	2.0232	2.9221	2.6081	1.0296	2.6534	2.8108	1.6493	3.5511	2.4510		2.4510
H11	2.0232	2.9221	2.6534	2.6081	1.0296	3.5511	2.8108	1.6493	2.4510	2.4510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.822	C1	N3	H9	108.637
C1	N4	H7	108.822	C1	N4	H10	108.637
C1	N5	H8	108.822	C1	N5	H11	108.637
H2	C1	N3	106.838	H2	C1	N4	106.838
H2	C1	N5	106.838	N3	C1	N4	111.971
N3	C1	N5	111.971	N4	C1	N5	111.971
H6	N3	H9	106.561	H7	N4	H10	106.561
H8	N5	H11	106.561

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: LSDA/6-31G**

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	0.090
2	H	0.148
3	N	-0.579
4	N	-0.579
5	N	-0.579
6	H	0.265
7	H	0.265
8	H	0.265
9	H	0.234
10	H	0.234
11	H	0.234

<r²>	80.903
(<r²>)^1/2	8.995

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)