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	hartrees
Energy at 0K	-206.401577
Energy at 298.15K	-206.411259
HF Energy	-206.401577
Nuclear repulsion energy	135.406664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3484	3457	4.33
2	A	3355	3330	9.84
3	A	2980	2957	48.62
4	A	1639	1626	48.72
5	A	1300	1290	4.14
6	A	868	862	15.71
7	A	686	680	52.06
8	A	530	526	4.85
9	A	322	319	52.20
10	E	3484	3457	2.69
10	E	3484	3457	2.69
11	E	3360	3334	9.68
11	E	3360	3334	9.69
12	E	1642	1630	18.83
12	E	1642	1630	18.83
13	E	1386	1376	23.01
13	E	1386	1376	23.00
14	E	1179	1170	51.72
14	E	1179	1170	51.71
15	E	978	971	47.05
15	E	978	971	47.04
16	E	671	666	327.88
16	E	671	666	327.87
17	E	417	414	66.17
17	E	417	414	66.17
18	E	242	241	30.46
18	E	242	241	30.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.477
N3	0.000	1.415	-0.059
N4	1.225	-0.707	-0.059
N5	-1.225	-0.707	-0.059
H6	0.838	1.925	0.243
H7	1.249	-1.688	0.243
H8	-2.086	-0.237	0.243
H9	-0.165	1.527	-1.067
H10	1.405	-0.621	-1.067
H11	-1.240	-0.906	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1037	1.4791	1.4791	1.4791	2.1038	2.1038	2.1038	2.1054	2.1054	2.1054
H2	1.1037		2.0881	2.0881	2.0881	2.4356	2.4356	2.4356	2.9714	2.9714	2.9714
N3	1.4791	2.0881		2.4501	2.4501	1.0265	3.3581	2.6781	1.0273	2.6704	2.8178
N4	1.4791	2.0881	2.4501		2.4501	2.6781	1.0265	3.3581	2.8178	1.0273	2.6704
N5	1.4791	2.0881	2.4501	2.4501		3.3581	2.6781	1.0265	2.6704	2.8178	1.0273
H6	2.1038	2.4356	1.0265	2.6781	3.3581		3.6369	3.6369	1.6968	2.9186	3.7485
H7	2.1038	2.4356	3.3581	1.0265	2.6781	3.6369		3.6369	3.7485	1.6968	2.9186
H8	2.1038	2.4356	2.6781	3.3581	1.0265	3.6369	3.6369		2.9186	3.7485	1.6968
H9	2.1054	2.9714	1.0273	2.8178	2.6704	1.6968	3.7485	2.9186		2.6603	2.6603
H10	2.1054	2.9714	2.6704	1.0273	2.8178	2.9186	1.6968	3.7485	2.6603		2.6603
H11	2.1054	2.9714	2.8178	2.6704	1.0273	3.7485	2.9186	1.6968	2.6603	2.6603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	112.954	C1	N3	H9	113.037
C1	N4	H7	112.954	C1	N4	H10	113.037
C1	N5	H8	112.954	C1	N5	H11	113.037
H2	C1	N3	106.991	H2	C1	N4	106.991
H2	C1	N5	106.991	N3	C1	N4	111.834
N3	C1	N5	111.834	N4	C1	N5	111.834
H6	N3	H9	111.411	H7	N4	H10	111.411
H8	N5	H11	111.411

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: BLYP/6-31G

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	0.161
2	H	0.141
3	N	-0.601
4	N	-0.601
5	N	-0.601
6	H	0.262
7	H	0.262
8	H	0.262
9	H	0.238
10	H	0.238
11	H	0.238

<r²>	84.828
(<r²>)^1/2	9.210

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)