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	hartrees
Energy at 0K	-206.575073
Energy at 298.15K	-206.585124
HF Energy	-206.575073
Nuclear repulsion energy	137.994198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3569	3432	0.10
2	A	3478	3345	3.76
3	A	3035	2918	31.45
4	A	1636	1573	48.01
5	A	1350	1298	1.93
6	A	920	885	15.19
7	A	852	819	3.19
8	A	558	537	13.76
9	A	300	288	55.70
10	E	3569	3432	0.45
10	E	3569	3432	0.45
11	E	3482	3348	0.30
11	E	3482	3348	0.30
12	E	1645	1582	26.64
12	E	1645	1582	26.63
13	E	1410	1356	21.11
13	E	1410	1356	21.12
14	E	1217	1170	50.31
14	E	1217	1170	50.32
15	E	1040	1000	45.23
15	E	1040	1000	45.25
16	E	881	847	221.75
16	E	881	847	221.75
17	E	439	422	36.75
17	E	439	422	36.75
18	E	258	248	19.78
18	E	258	248	19.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.460
N3	0.000	1.393	-0.053
N4	1.206	-0.697	-0.053
N5	-1.206	-0.697	-0.053
H6	0.874	1.829	0.220
H7	1.146	-1.671	0.220
H8	-2.021	-0.157	0.220
H9	-0.053	1.448	-1.066
H10	1.281	-0.678	-1.066
H11	-1.228	-0.770	-1.066

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0945	1.4546	1.4546	1.4546	2.0321	2.0321	2.0321	2.0367	2.0367	2.0367
H2	1.0945		2.0566	2.0566	2.0566	2.3758	2.3758	2.3758	2.9118	2.9118	2.9118
N3	1.4546	2.0566		2.4128	2.4128	1.0144	3.2834	2.5615	1.0154	2.6374	2.6853
N4	1.4546	2.0566	2.4128		2.4128	2.5615	1.0144	3.2834	2.6853	1.0154	2.6374
N5	1.4546	2.0566	2.4128	2.4128		3.2834	2.5615	1.0144	2.6374	2.6853	1.0154
H6	2.0321	2.3758	1.0144	2.5615	3.2834		3.5107	3.5107	1.6305	2.8468	3.5812
H7	2.0321	2.3758	3.2834	1.0144	2.5615	3.5107		3.5107	3.5812	1.6305	2.8468
H8	2.0321	2.3758	2.5615	3.2834	1.0144	3.5107	3.5107		2.8468	3.5812	1.6305
H9	2.0367	2.9118	1.0154	2.6853	2.6374	1.6305	3.5812	2.8468		2.5100	2.5100
H10	2.0367	2.9118	2.6374	1.0154	2.6853	2.8468	1.6305	3.5812	2.5100		2.5100
H11	2.0367	2.9118	2.6853	2.6374	1.0154	3.5812	2.8468	1.6305	2.5100	2.5100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.489	C1	N3	H9	109.811
C1	N4	H7	109.489	C1	N4	H10	109.811
C1	N5	H8	109.489	C1	N5	H11	109.811
H2	C1	N3	106.722	H2	C1	N4	106.722
H2	C1	N5	106.722	N3	C1	N4	112.075
N3	C1	N5	112.075	N4	C1	N5	112.075
H6	N3	H9	106.885	H7	N4	H10	106.885
H8	N5	H11	106.885

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	0.152
2	H	0.087
3	N	-0.313
4	N	-0.313
5	N	-0.313
6	H	0.130
7	H	0.130
8	H	0.130
9	H	0.104
10	H	0.104
11	H	0.104

<r²>	81.912
(<r²>)^1/2	9.051

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)