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	hartrees
Energy at 0K	-206.371875
Energy at 298.15K	-206.381929
HF Energy	-206.371875
Nuclear repulsion energy	136.926154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3452	3420	1.67
2	A	3361	3330	9.47
3	A	2954	2927	33.42
4	A	1591	1577	54.77
5	A	1321	1309	0.50
6	A	907	899	12.93
7	A	837	830	0.32
8	A	547	542	18.66
9	A	318	316	56.52
10	E	3452	3421	1.23
10	E	3452	3421	1.23
11	E	3366	3335	3.24
11	E	3366	3335	3.24
12	E	1602	1587	23.07
12	E	1602	1587	23.07
13	E	1366	1353	18.10
13	E	1366	1353	18.10
14	E	1186	1175	42.65
14	E	1186	1175	42.65
15	E	1012	1002	45.51
15	E	1012	1002	45.53
16	E	866	858	230.68
16	E	866	858	230.68
17	E	425	422	36.00
17	E	425	422	35.99
18	E	280	278	22.31
18	E	280	278	22.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.473
N3	0.000	1.405	-0.053
N4	1.217	-0.702	-0.053
N5	-1.217	-0.702	-0.053
H6	0.893	1.829	0.221
H7	1.137	-1.688	0.221
H8	-2.031	-0.141	0.221
H9	-0.033	1.443	-1.079
H10	1.266	-0.693	-1.079
H11	-1.233	-0.750	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1052	1.4662	1.4662	1.4662	2.0407	2.0407	2.0407	2.0429	2.0429	2.0429
H2	1.1052		2.0735	2.0735	2.0735	2.3894	2.3894	2.3894	2.9310	2.9310	2.9310
N3	1.4662	2.0735		2.4331	2.4331	1.0261	3.3066	2.5665	1.0272	2.6562	2.6860
N4	1.4662	2.0735	2.4331		2.4331	2.5665	1.0261	3.3066	2.6860	1.0272	2.6562
N5	1.4662	2.0735	2.4331	2.4331		3.3066	2.5665	1.0261	2.6562	2.6860	1.0272
H6	2.0407	2.3894	1.0261	2.5665	3.3066		3.5254	3.5254	1.6418	2.8614	3.5861
H7	2.0407	2.3894	3.3066	1.0261	2.5665	3.5254		3.5254	3.5861	1.6418	2.8614
H8	2.0407	2.3894	2.5665	3.3066	1.0261	3.5254	3.5254		2.8614	3.5861	1.6418
H9	2.0429	2.9310	1.0272	2.6860	2.6562	1.6418	3.5861	2.8614		2.4995	2.4995
H10	2.0429	2.9310	2.6562	1.0272	2.6860	2.8614	1.6418	3.5861	2.4995		2.4995
H11	2.0429	2.9310	2.6860	2.6562	1.0272	3.5861	2.8614	1.6418	2.4995	2.4995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.643	C1	N3	H9	108.758
C1	N4	H7	108.643	C1	N4	H10	108.758
C1	N5	H8	108.643	C1	N5	H11	108.758
H2	C1	N3	106.647	H2	C1	N4	106.647
H2	C1	N5	106.647	N3	C1	N4	112.142
N3	C1	N5	112.142	N4	C1	N5	112.142
H6	N3	H9	106.189	H7	N4	H10	106.189
H8	N5	H11	106.189

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBEPBE/6-311G**

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	0.062
2	H	0.140
3	N	-0.423
4	N	-0.423
5	N	-0.423
6	H	0.193
7	H	0.193
8	H	0.193
9	H	0.163
10	H	0.163
11	H	0.163

<r²>	82.966
(<r²>)^1/2	9.109

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)