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	hartrees
Energy at 0K	-206.488442
Energy at 298.15K	-206.498161
HF Energy	-206.488442
Nuclear repulsion energy	136.742667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3495	0.05
2	A	3503	3370	2.88
3	A	3062	2946	53.34
4	A	1685	1621	52.68
5	A	1332	1281	9.33
6	A	904	870	12.29
7	A	681	655	93.08
8	A	538	518	0.15
9	A	320	308	41.52
10	E	3633	3495	0.03
10	E	3633	3495	0.03
11	E	3506	3373	1.69
11	E	3506	3373	1.69
12	E	1687	1623	28.84
12	E	1687	1623	28.84
13	E	1432	1377	26.39
13	E	1432	1377	26.38
14	E	1224	1177	73.28
14	E	1224	1177	73.27
15	E	1021	983	43.55
15	E	1021	983	43.56
16	E	666	641	336.89
16	E	666	641	336.88
17	E	430	414	80.83
17	E	430	414	80.83
18	E	233	224	38.42
18	E	233	224	38.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.467
N3	0.000	1.398	-0.061
N4	1.210	-0.699	-0.061
N5	-1.210	-0.699	-0.061
H6	0.812	1.926	0.241
H7	1.262	-1.667	0.241
H8	-2.074	-0.259	0.241
H9	-0.211	1.530	-1.046
H10	1.431	-0.583	-1.046
H11	-1.220	-0.948	-1.046

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0958	1.4630	1.4630	1.4630	2.0943	2.0943	2.0943	2.0962	2.0962	2.0962
H2	1.0958		2.0708	2.0708	2.0708	2.4231	2.4231	2.4231	2.9497	2.9497	2.9497
N3	1.4630	2.0708		2.4210	2.4210	1.0151	3.3276	2.6719	1.0158	2.6341	2.8212
N4	1.4630	2.0708	2.4210		2.4210	2.6719	1.0151	3.3276	2.8212	1.0158	2.6341
N5	1.4630	2.0708	2.4210	2.4210		3.3276	2.6719	1.0151	2.6341	2.8212	1.0158
H6	2.0943	2.4231	1.0151	2.6719	3.3276		3.6204	3.6204	1.6913	2.8864	3.7476
H7	2.0943	2.4231	3.3276	1.0151	2.6719	3.6204		3.6204	3.7476	1.6913	2.8864
H8	2.0943	2.4231	2.6719	3.3276	1.0151	3.6204	3.6204		2.8864	3.7476	1.6913
H9	2.0962	2.9497	1.0158	2.8212	2.6341	1.6913	3.7476	2.8864		2.6756	2.6756
H10	2.0962	2.9497	2.6341	1.0158	2.8212	2.8864	1.6913	3.7476	2.6756		2.6756
H11	2.0962	2.9497	2.8212	2.6341	1.0158	3.7476	2.8864	1.6913	2.6756	2.6756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.149	C1	N3	H9	114.268
C1	N4	H7	114.149	C1	N4	H10	114.268
C1	N5	H8	114.149	C1	N5	H11	114.268
H2	C1	N3	107.179	H2	C1	N4	107.179
H2	C1	N5	107.179	N3	C1	N4	111.663
N3	C1	N5	111.663	N4	C1	N5	111.663
H6	N3	H9	112.768	H7	N4	H10	112.768
H8	N5	H11	112.768

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/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	0.204
2	H	0.156
3	N	-0.663
4	N	-0.663
5	N	-0.663
6	H	0.283
7	H	0.283
8	H	0.283
9	H	0.260
10	H	0.260
11	H	0.260

<r²>	83.432
(<r²>)^1/2	9.134

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)