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	hartrees
Energy at 0K	-206.379382
Energy at 298.15K
HF Energy	-206.152386
Nuclear repulsion energy	137.549246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3616	1.77
2	A	3510	3510	3.20
3	A	3104	3104	27.03
4	A	1668	1668	66.10
5	A	1359	1359	2.90
6	A	922	922	21.46
7	A	855	855	10.64
8	A	559	559	12.94
9	A	320	320	66.32
10	E	3617	3617	1.71
10	E	3617	3617	1.71
11	E	3514	3514	0.29
11	E	3514	3514	0.29
12	E	1678	1678	35.04
12	E	1678	1678	35.04
13	E	1431	1431	28.42
13	E	1431	1431	28.42
14	E	1225	1225	60.19
14	E	1225	1225	60.19
15	E	1047	1047	57.61
15	E	1047	1047	57.61
16	E	878	878	233.03
16	E	878	878	233.03
17	E	446	446	43.38
17	E	446	446	43.38
18	E	265	265	26.14
18	E	265	265	26.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.459
N3	0.000	1.397	-0.055
N4	1.209	-0.698	-0.055
N5	-1.209	-0.698	-0.055
H6	0.865	1.846	0.231
H7	1.166	-1.672	0.231
H8	-2.031	-0.173	0.231
H9	-0.069	1.468	-1.067
H10	1.306	-0.674	-1.067
H11	-1.237	-0.794	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0929	1.4587	1.4587	1.4587	2.0431	2.0431	2.0431	2.0527	2.0527	2.0527
H2	1.0929		2.0598	2.0598	2.0598	2.3803	2.3803	2.3803	2.9225	2.9225	2.9225
N3	1.4587	2.0598		2.4188	2.4188	1.0160	3.2952	2.5830	1.0169	2.6489	2.7111
N4	1.4587	2.0598	2.4188		2.4188	2.5830	1.0160	3.2952	2.7111	1.0169	2.6489
N5	1.4587	2.0598	2.4188	2.4188		3.2952	2.5830	1.0160	2.6488	2.7111	1.0169
H6	2.0431	2.3803	1.0160	2.5830	3.2952		3.5310	3.5310	1.6431	2.8684	3.6151
H7	2.0431	2.3803	3.2952	1.0160	2.5830	3.5310		3.5310	3.6151	1.6431	2.8684
H8	2.0431	2.3803	2.5830	3.2952	1.0160	3.5310	3.5310		2.8684	3.6151	1.6431
H9	2.0527	2.9225	1.0169	2.7111	2.6488	1.6431	3.6151	2.8684		2.5450	2.5450
H10	2.0527	2.9225	2.6489	1.0169	2.7111	2.8684	1.6431	3.6151	2.5450		2.5450
H11	2.0527	2.9225	2.7111	2.6489	1.0169	3.6151	2.8684	1.6431	2.5450	2.5450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.013	C1	N3	H9	110.763
C1	N4	H7	110.013	C1	N4	H10	110.763
C1	N5	H8	110.013	C1	N5	H11	110.763
H2	C1	N3	106.788	H2	C1	N4	106.788
H2	C1	N5	106.788	N3	C1	N4	112.016
N3	C1	N5	112.016	N4	C1	N5	112.016
H6	N3	H9	107.843	H7	N4	H10	107.843
H8	N5	H11	107.843

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)