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	hartrees
Energy at 0K	-206.340428
Energy at 298.15K	-206.350633
HF Energy	-206.340428
Nuclear repulsion energy	138.008387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3561	3423	0.12
2	A	3468	3334	5.28
3	A	3049	2931	38.13
4	A	1630	1567	43.66
5	A	1365	1312	0.78
6	A	944	908	9.95
7	A	893	859	0.01
8	A	560	538	18.49
9	A	313	301	62.02
10	E	3561	3424	0.23
10	E	3561	3424	0.23
11	E	3472	3338	0.55
11	E	3472	3338	0.55
12	E	1642	1579	21.86
12	E	1642	1579	21.86
13	E	1410	1356	28.33
13	E	1410	1356	28.33
14	E	1236	1188	60.13
14	E	1236	1188	60.13
15	E	1069	1027	42.30
15	E	1069	1027	42.30
16	E	927	891	201.55
16	E	927	891	201.56
17	E	443	426	36.07
17	E	443	426	36.07
18	E	291	280	19.28
18	E	291	280	19.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.364
H2	0.000	0.000	1.469
N3	0.000	1.392	-0.053
N4	1.205	-0.696	-0.053
N5	-1.205	-0.696	-0.053
H6	0.887	1.812	0.231
H7	1.126	-1.675	0.231
H8	-2.013	-0.137	0.231
H9	0.005	1.424	-1.077
H10	1.230	-0.716	-1.077
H11	-1.235	-0.708	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1048	1.4530	1.4530	1.4530	2.0222	2.0222	2.0222	2.0255	2.0255	2.0255
H2	1.1048		2.0624	2.0624	2.0624	2.3671	2.3671	2.3671	2.9167	2.9167	2.9167
N3	1.4530	2.0624		2.4106	2.4106	1.0224	3.2789	2.5441	1.0240	2.6467	2.6422
N4	1.4530	2.0624	2.4106		2.4106	2.5441	1.0224	3.2789	2.6422	1.0240	2.6467
N5	1.4530	2.0624	2.4106	2.4106		3.2789	2.5441	1.0224	2.6467	2.6422	1.0240
H6	2.0222	2.3671	1.0224	2.5441	3.2789		3.4949	3.4949	1.6249	2.8672	3.5449
H7	2.0222	2.3671	3.2789	1.0224	2.5441	3.4949		3.4949	3.5449	1.6249	2.8672
H8	2.0222	2.3671	2.5441	3.2789	1.0224	3.4949	3.4949		2.8672	3.5449	1.6249
H9	2.0255	2.9167	1.0240	2.6422	2.6467	1.6249	3.5449	2.8672		2.4660	2.4660
H10	2.0255	2.9167	2.6467	1.0240	2.6422	2.8672	1.6249	3.5449	2.4660		2.4660
H11	2.0255	2.9167	2.6422	2.6467	1.0240	3.5449	2.8672	1.6249	2.4660	2.4660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.299	C1	N3	H9	108.475
C1	N4	H7	108.299	C1	N4	H10	108.475
C1	N5	H8	108.299	C1	N5	H11	108.475
H2	C1	N3	106.688	H2	C1	N4	106.688
H2	C1	N5	106.688	N3	C1	N4	112.105
N3	C1	N5	112.105	N4	C1	N5	112.105
H6	N3	H9	105.128	H7	N4	H10	105.128
H8	N5	H11	105.128

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBE1PBE/cc-pVDZ

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	0.053
2	H	0.050
3	N	-0.191
4	N	-0.191
5	N	-0.191
6	H	0.091
7	H	0.091
8	H	0.091
9	H	0.066
10	H	0.066
11	H	0.066

<r²>	81.426
(<r²>)^1/2	9.024

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)