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	hartrees
Energy at 0K	-206.589297
Energy at 298.15K	-206.599324
HF Energy	-206.589297
Nuclear repulsion energy	137.147365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3552	3418	0.01
2	A	3452	3323	6.67
3	A	3068	2953	28.29
4	A	1658	1596	62.48
5	A	1347	1296	1.87
6	A	909	875	19.31
7	A	847	815	4.65
8	A	546	526	16.63
9	A	309	298	67.43
10	E	3552	3419	0.46
10	E	3552	3419	0.46
11	E	3456	3326	1.04
11	E	3456	3326	1.04
12	E	1667	1605	29.67
12	E	1667	1605	29.68
13	E	1412	1359	26.48
13	E	1412	1359	26.48
14	E	1203	1158	58.01
14	E	1203	1158	58.02
15	E	1027	989	59.87
15	E	1027	989	59.89
16	E	873	840	225.95
16	E	873	840	225.91
17	E	432	416	42.50
17	E	432	416	42.49
18	E	267	257	24.39
18	E	267	257	24.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.461
N3	0.000	1.401	-0.055
N4	1.214	-0.701	-0.055
N5	-1.214	-0.701	-0.055
H6	0.869	1.847	0.239
H7	1.166	-1.676	0.239
H8	-2.034	-0.171	0.239
H9	-0.042	1.465	-1.073
H10	1.290	-0.696	-1.073
H11	-1.248	-0.769	-1.073

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0951	1.4633	1.4633	1.4633	2.0454	2.0454	2.0454	2.0546	2.0546	2.0546
H2	1.0951		2.0648	2.0648	2.0648	2.3792	2.3792	2.3792	2.9280	2.9280	2.9280
N3	1.4633	2.0648		2.4271	2.4271	1.0201	3.3038	2.5881	1.0210	2.6646	2.7029
N4	1.4633	2.0648	2.4271		2.4271	2.5881	1.0201	3.3038	2.7029	1.0210	2.6646
N5	1.4633	2.0648	2.4271	2.4271		3.3038	2.5881	1.0201	2.6646	2.7029	1.0210
H6	2.0454	2.3792	1.0201	2.5881	3.3038		3.5360	3.5360	1.6429	2.8932	3.6127
H7	2.0454	2.3792	3.3038	1.0201	2.5881	3.5360		3.5360	3.6127	1.6429	2.8932
H8	2.0454	2.3792	2.5881	3.3038	1.0201	3.5360	3.5360		2.8932	3.6127	1.6429
H9	2.0546	2.9280	1.0210	2.7029	2.6646	1.6429	3.6127	2.8932		2.5394	2.5394
H10	2.0546	2.9280	2.6646	1.0210	2.7029	2.8932	1.6429	3.6127	2.5394		2.5394
H11	2.0546	2.9280	2.7029	2.6646	1.0210	3.6127	2.8932	1.6429	2.5394	2.5394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.615	C1	N3	H9	110.328
C1	N4	H7	109.615	C1	N4	H10	110.328
C1	N5	H8	109.615	C1	N5	H11	110.328
H2	C1	N3	106.737	H2	C1	N4	106.737
H2	C1	N5	106.737	N3	C1	N4	112.062
N3	C1	N5	112.062	N4	C1	N5	112.062
H6	N3	H9	107.203	H7	N4	H10	107.203
H8	N5	H11	107.203

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	-0.131
2	H	0.155
3	N	-0.595
4	N	-0.595
5	N	-0.595
6	H	0.304
7	H	0.304
8	H	0.304
9	H	0.283
10	H	0.283
11	H	0.283

	x	y	z
x	6.492	0.000	-0.000
y	0.000	6.492	-0.000
z	-0.000	-0.000	5.738

<r²>	83.361
(<r²>)^1/2	9.130

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)