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	hartrees
Energy at 0K	-206.244812
Energy at 298.15K	-206.254974
HF Energy	-205.361324
Nuclear repulsion energy	138.674593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3619	3436	2.37
2	A	3517	3339	1.41
3	A	3117	2960	25.29
4	A	1643	1560	51.56
5	A	1363	1294	1.62
6	A	940	893	16.95
7	A	867	823	2.37
8	A	561	533	15.57
9	A	311	295	57.66
10	E	3620	3437	2.17
10	E	3620	3437	2.17
11	E	3523	3344	1.05
11	E	3523	3344	1.05
12	E	1653	1569	25.59
12	E	1653	1569	25.59
13	E	1429	1357	21.02
13	E	1429	1357	21.02
14	E	1242	1180	52.44
14	E	1242	1180	52.44
15	E	1065	1011	37.08
15	E	1065	1011	37.08
16	E	902	857	220.78
16	E	902	857	220.78
17	E	448	425	39.31
17	E	448	425	39.31
18	E	275	261	21.02
18	E	275	261	21.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.456
N3	0.000	1.386	-0.053
N4	1.200	-0.693	-0.053
N5	-1.200	-0.693	-0.053
H6	0.881	1.810	0.205
H7	1.127	-1.669	0.205
H8	-2.009	-0.142	0.205
H9	-0.056	1.423	-1.063
H10	1.261	-0.663	-1.063
H11	-1.204	-0.760	-1.063

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0852	1.4493	1.4493	1.4493	2.0203	2.0203	2.0203	2.0208	2.0208	2.0208
H2	1.0852		2.0486	2.0486	2.0486	2.3703	2.3703	2.3703	2.8935	2.8935	2.8935
N3	1.4493	2.0486		2.4008	2.4008	1.0117	3.2661	2.5368	1.0126	2.6091	2.6605
N4	1.4493	2.0486	2.4008		2.4008	2.5368	1.0117	3.2661	2.6605	1.0126	2.6091
N5	1.4493	2.0486	2.4008	2.4008		3.2661	2.5368	1.0117	2.6091	2.6605	1.0126
H6	2.0203	2.3703	1.0117	2.5368	3.2661		3.4876	3.4876	1.6242	2.8051	3.5450
H7	2.0203	2.3703	3.2661	1.0117	2.5368	3.4876		3.4876	3.5450	1.6242	2.8051
H8	2.0203	2.3703	2.5368	3.2661	1.0117	3.4876	3.4876		2.8051	3.5450	1.6242
H9	2.0208	2.8935	1.0126	2.6605	2.6091	1.6242	3.5450	2.8051		2.4668	2.4668
H10	2.0208	2.8935	2.6091	1.0126	2.6605	2.8051	1.6242	3.5450	2.4668		2.4668
H11	2.0208	2.8935	2.6605	2.6091	1.0126	3.5450	2.8051	1.6242	2.4668	2.4668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.067	C1	N3	H9	109.048
C1	N4	H7	109.067	C1	N4	H10	109.048
C1	N5	H8	109.067	C1	N5	H11	109.048
H2	C1	N3	106.981	H2	C1	N4	106.981
H2	C1	N5	106.981	N3	C1	N4	111.842
N3	C1	N5	111.842	N4	C1	N5	111.842
H6	N3	H9	106.712	H7	N4	H10	106.712
H8	N5	H11	106.712

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)