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	hartrees
Energy at 0K	-206.479758
Energy at 298.15K	-206.489855
HF Energy	-206.479758
Nuclear repulsion energy	138.401427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3598	3445	0.00
2	A	3504	3356	2.83
3	A	3054	2925	35.63
4	A	1641	1572	46.57
5	A	1361	1304	1.73
6	A	936	896	11.16
7	A	875	838	0.50
8	A	555	531	18.48
9	A	301	288	60.97
10	E	3598	3446	0.35
10	E	3598	3446	0.35
11	E	3508	3360	0.03
11	E	3508	3360	0.03
12	E	1653	1583	23.73
12	E	1653	1583	23.73
13	E	1418	1358	25.58
13	E	1418	1358	25.58
14	E	1231	1179	55.06
14	E	1231	1179	55.06
15	E	1056	1012	35.92
15	E	1056	1012	35.92
16	E	907	868	215.99
16	E	907	868	215.98
17	E	438	419	36.27
17	E	438	419	36.28
18	E	272	260	18.74
18	E	272	260	18.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.462
N3	0.000	1.389	-0.053
N4	1.203	-0.694	-0.053
N5	-1.203	-0.694	-0.053
H6	0.880	1.812	0.221
H7	1.130	-1.668	0.221
H8	-2.009	-0.144	0.221
H9	-0.028	1.427	-1.068
H10	1.250	-0.689	-1.068
H11	-1.222	-0.738	-1.068

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0956	1.4510	1.4510	1.4510	2.0197	2.0197	2.0197	2.0235	2.0235	2.0235
H2	1.0956		2.0559	2.0559	2.0559	2.3662	2.3662	2.3662	2.9049	2.9049	2.9049
N3	1.4510	2.0559		2.4056	2.4056	1.0141	3.2704	2.5423	1.0153	2.6284	2.6541
N4	1.4510	2.0559	2.4056		2.4056	2.5423	1.0141	3.2704	2.6541	1.0153	2.6284
N5	1.4510	2.0559	2.4056	2.4056		3.2704	2.5423	1.0141	2.6284	2.6541	1.0153
H6	2.0197	2.3662	1.0141	2.5423	3.2704		3.4892	3.4892	1.6228	2.8380	3.5468
H7	2.0197	2.3662	3.2704	1.0141	2.5423	3.4892		3.4892	3.5468	1.6228	2.8380
H8	2.0197	2.3662	2.5423	3.2704	1.0141	3.4892	3.4892		2.8380	3.5468	1.6228
H9	2.0235	2.9049	1.0153	2.6541	2.6284	1.6228	3.5468	2.8380		2.4720	2.4720
H10	2.0235	2.9049	2.6284	1.0153	2.6541	2.8380	1.6228	3.5468	2.4720		2.4720
H11	2.0235	2.9049	2.6541	2.6284	1.0153	3.5468	2.8380	1.6228	2.4720	2.4720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.736	C1	N3	H9	108.979
C1	N4	H7	108.736	C1	N4	H10	108.979
C1	N5	H8	108.736	C1	N5	H11	108.979
H2	C1	N3	106.837	H2	C1	N4	106.837
H2	C1	N5	106.837	N3	C1	N4	111.972
N3	C1	N5	111.972	N4	C1	N5	111.972
H6	N3	H9	106.190	H7	N4	H10	106.190
H8	N5	H11	106.190

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B1B95/6-31G(2df,p)

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	0.091
2	H	0.112
3	N	-0.533
4	N	-0.533
5	N	-0.533
6	H	0.245
7	H	0.245
8	H	0.245
9	H	0.220
10	H	0.220
11	H	0.220

<r²>	81.067
(<r²>)^1/2	9.004

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)