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	hartrees
Energy at 0K	-205.995179
Energy at 298.15K	-206.005348
HF Energy	-205.300792
Nuclear repulsion energy	137.861280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3667	3444	4.09
2	A	3548	3332	1.68
3	A	3155	2963	24.03
4	A	1680	1578	69.99
5	A	1373	1289	2.94
6	A	941	884	23.31
7	A	873	820	8.61
8	A	565	531	14.52
9	A	331	311	67.93
10	E	3667	3444	3.43
10	E	3667	3444	3.43
11	E	3553	3337	0.54
11	E	3553	3337	0.54
12	E	1691	1588	35.60
12	E	1691	1588	35.60
13	E	1445	1357	29.33
13	E	1445	1357	29.33
14	E	1246	1170	60.26
14	E	1246	1170	60.26
15	E	1068	1003	48.28
15	E	1068	1003	48.28
16	E	898	844	233.77
16	E	898	844	233.77
17	E	451	423	45.08
17	E	451	423	45.08
18	E	274	257	27.08
18	E	274	257	27.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.459
N3	0.000	1.393	-0.054
N4	1.206	-0.696	-0.054
N5	-1.206	-0.696	-0.054
H6	0.870	1.837	0.223
H7	1.156	-1.672	0.223
H8	-2.026	-0.165	0.223
H9	-0.075	1.458	-1.065
H10	1.300	-0.664	-1.065
H11	-1.225	-0.794	-1.065

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0904	1.4558	1.4558	1.4558	2.0379	2.0379	2.0379	2.0462	2.0462	2.0462
H2	1.0904		2.0569	2.0569	2.0569	2.3792	2.3792	2.3792	2.9160	2.9160	2.9160
N3	1.4558	2.0569		2.4127	2.4127	1.0151	3.2873	2.5709	1.0158	2.6350	2.7026
N4	1.4558	2.0569	2.4127		2.4127	2.5709	1.0151	3.2873	2.7026	1.0158	2.6350
N5	1.4558	2.0569	2.4127	2.4127		3.2873	2.5709	1.0151	2.6350	2.7026	1.0158
H6	2.0379	2.3792	1.0151	2.5709	3.2873		3.5207	3.5207	1.6416	2.8461	3.6011
H7	2.0379	2.3792	3.2873	1.0151	2.5709	3.5207		3.5207	3.6011	1.6416	2.8461
H8	2.0379	2.3792	2.5709	3.2873	1.0151	3.5207	3.5207		2.8461	3.6011	1.6416
H9	2.0462	2.9160	1.0158	2.7026	2.6350	1.6416	3.6011	2.8461		2.5282	2.5282
H10	2.0462	2.9160	2.6350	1.0158	2.7026	2.8461	1.6416	3.6011	2.5282		2.5282
H11	2.0462	2.9160	2.7026	2.6350	1.0158	3.6011	2.8461	1.6416	2.5282	2.5282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.842	C1	N3	H9	110.500
C1	N4	H7	109.842	C1	N4	H10	110.500
C1	N5	H8	109.842	C1	N5	H11	110.500
H2	C1	N3	106.892	H2	C1	N4	106.892
H2	C1	N5	106.892	N3	C1	N4	111.923
N3	C1	N5	111.923	N4	C1	N5	111.923
H6	N3	H9	107.860	H7	N4	H10	107.860
H8	N5	H11	107.860

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)