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	hartrees
Energy at 0K	-206.480024
Energy at 298.15K	-206.490189
HF Energy	-206.480024
Nuclear repulsion energy	137.688685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3555	3402	1.05
2	A	3456	3306	6.96
3	A	3071	2938	38.24
4	A	1681	1608	52.14
5	A	1380	1320	1.19
6	A	950	909	12.23
7	A	885	846	0.09
8	A	557	533	22.56
9	A	314	300	80.04
10	E	3556	3402	0.09
10	E	3556	3402	0.09
11	E	3459	3309	0.90
11	E	3459	3309	0.90
12	E	1693	1620	23.27
12	E	1693	1620	23.27
13	E	1433	1371	28.40
13	E	1433	1371	28.40
14	E	1237	1183	60.99
14	E	1237	1183	61.00
15	E	1061	1015	48.26
15	E	1061	1015	48.27
16	E	924	884	240.13
16	E	924	884	240.13
17	E	443	424	39.95
17	E	443	424	39.95
18	E	292	279	21.81
18	E	292	279	21.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.362
H2	0.000	0.000	1.460
N3	0.000	1.397	-0.054
N4	1.209	-0.698	-0.054
N5	-1.209	-0.698	-0.054
H6	0.876	1.826	0.244
H7	1.143	-1.671	0.244
H8	-2.019	-0.155	0.244
H9	-0.005	1.443	-1.074
H10	1.252	-0.717	-1.074
H11	-1.247	-0.726	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0976	1.4575	1.4575	1.4575	2.0283	2.0283	2.0283	2.0360	2.0360	2.0360
H2	1.0976		2.0601	2.0601	2.0601	2.3621	2.3621	2.3621	2.9162	2.9162	2.9162
N3	1.4575	2.0601		2.4189	2.4189	1.0196	3.2874	2.5635	1.0209	2.6599	2.6643
N4	1.4575	2.0601	2.4189		2.4189	2.5635	1.0196	3.2874	2.6643	1.0209	2.6599
N5	1.4575	2.0601	2.4189	2.4189		3.2874	2.5634	1.0196	2.6599	2.6643	1.0209
H6	2.0283	2.3621	1.0196	2.5635	3.2874		3.5071	3.5071	1.6305	2.8888	3.5709
H7	2.0283	2.3621	3.2874	1.0196	2.5634	3.5071		3.5071	3.5709	1.6305	2.8888
H8	2.0283	2.3621	2.5635	3.2874	1.0196	3.5071	3.5071		2.8888	3.5709	1.6305
H9	2.0360	2.9162	1.0209	2.6643	2.6599	1.6305	3.5709	2.8888		2.4989	2.4989
H10	2.0360	2.9162	2.6599	1.0209	2.6643	2.8888	1.6305	3.5709	2.4989		2.4989
H11	2.0360	2.9162	2.6643	2.6599	1.0209	3.5709	2.8888	1.6305	2.4989	2.4989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.649	C1	N3	H9	109.208
C1	N4	H7	108.649	C1	N4	H10	109.208
C1	N5	H8	108.649	C1	N5	H11	109.208
H2	C1	N3	106.618	H2	C1	N4	106.618
H2	C1	N5	106.618	N3	C1	N4	112.167
N3	C1	N5	112.167	N4	C1	N5	112.167
H6	N3	H9	106.084	H7	N4	H10	106.084
H8	N5	H11	106.084

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3PW91/6-31G*

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	0.145
2	H	0.177
3	N	-0.721
4	N	-0.721
5	N	-0.721
6	H	0.322
7	H	0.322
8	H	0.322
9	H	0.292
10	H	0.292
11	H	0.292

<r²>	81.971
(<r²>)^1/2	9.054

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)