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	hartrees
Energy at 0K	-206.206191
Energy at 298.15K	-206.216268
HF Energy	-205.365655
Nuclear repulsion energy	138.045630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3425	5.72
2	A	3489	3325	1.20
3	A	3102	2956	19.34
4	A	1636	1559	50.49
5	A	1352	1289	1.33
6	A	929	885	17.71
7	A	852	812	4.47
8	A	553	527	12.51
9	A	304	290	57.75
10	E	3595	3426	3.32
10	E	3595	3426	3.32
11	E	3495	3331	1.28
11	E	3495	3331	1.28
12	E	1645	1568	27.39
12	E	1645	1568	27.39
13	E	1420	1353	20.02
13	E	1420	1353	20.02
14	E	1225	1168	52.00
14	E	1225	1168	52.00
15	E	1052	1003	40.10
15	E	1052	1003	40.10
16	E	886	844	197.04
16	E	886	844	197.04
17	E	444	423	39.43
17	E	444	423	39.43
18	E	259	247	19.96
18	E	259	247	19.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.464
N3	0.000	1.392	-0.054
N4	1.205	-0.696	-0.054
N5	-1.205	-0.696	-0.054
H6	0.879	1.825	0.211
H7	1.142	-1.674	0.211
H8	-2.020	-0.152	0.211
H9	-0.058	1.437	-1.067
H10	1.273	-0.668	-1.067
H11	-1.215	-0.769	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0907	1.4555	1.4555	1.4555	2.0324	2.0324	2.0324	2.0348	2.0348	2.0348
H2	1.0907		2.0590	2.0590	2.0590	2.3820	2.3820	2.3820	2.9106	2.9106	2.9106
N3	1.4555	2.0590		2.4102	2.4102	1.0151	3.2816	2.5560	1.0158	2.6247	2.6775
N4	1.4555	2.0590	2.4102		2.4102	2.5560	1.0151	3.2816	2.6775	1.0158	2.6247
N5	1.4555	2.0590	2.4102	2.4102		3.2816	2.5560	1.0151	2.6247	2.6775	1.0158
H6	2.0324	2.3820	1.0151	2.5560	3.2816		3.5090	3.5090	1.6315	2.8294	3.5701
H7	2.0324	2.3820	3.2816	1.0151	2.5560	3.5090		3.5090	3.5701	1.6315	2.8294
H8	2.0324	2.3820	2.5560	3.2816	1.0151	3.5090	3.5090		2.8294	3.5701	1.6315
H9	2.0348	2.9106	1.0158	2.6775	2.6247	1.6315	3.5701	2.8294		2.4902	2.4902
H10	2.0348	2.9106	2.6247	1.0158	2.6775	2.8294	1.6315	3.5701	2.4902		2.4902
H11	2.0348	2.9106	2.6775	2.6247	1.0158	3.5701	2.8294	1.6315	2.4902	2.4902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.403	C1	N3	H9	109.560
C1	N4	H7	109.403	C1	N4	H10	109.560
C1	N5	H8	109.403	C1	N5	H11	109.560
H2	C1	N3	107.051	H2	C1	N4	107.051
H2	C1	N5	107.051	N3	C1	N4	111.779
N3	C1	N5	111.779	N4	C1	N5	111.779
H6	N3	H9	106.896	H7	N4	H10	106.896
H8	N5	H11	106.896

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)