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	hartrees
Energy at 0K	-203.921996
Energy at 298.15K	-203.931566
HF Energy	-203.921996
Nuclear repulsion energy	132.623236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3619	3619	35.84
2	A	3431	3431	16.56
3	A	3367	3367	0.63
4	A	1854	1854	10.97
5	A	1498	1498	0.15
6	A	1102	1102	1.07
7	A	862	862	2.99
8	A	495	495	13.57
9	A	250	250	103.10
10	E	3615	3615	4.87
10	E	3615	3615	4.87
11	E	3439	3439	18.93
11	E	3439	3439	18.93
12	E	1859	1859	2.17
12	E	1859	1859	2.17
13	E	1500	1500	23.23
13	E	1500	1500	23.23
14	E	1295	1295	39.02
14	E	1295	1295	39.03
15	E	1174	1174	10.61
15	E	1174	1174	10.60
16	E	959	959	102.45
16	E	959	959	102.45
17	E	386	386	26.45
17	E	386	386	26.45
18	E	255	255	15.44
18	E	255	255	15.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.379
H2	0.000	0.000	1.491
N3	0.000	1.457	-0.074
N4	1.262	-0.729	-0.074
N5	-1.262	-0.729	-0.074
H6	0.890	1.848	0.365
H7	1.156	-1.695	0.365
H8	-2.046	-0.154	0.365
H9	0.291	1.404	-1.101
H10	1.071	-0.954	-1.101
H11	-1.361	-0.450	-1.101

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1117	1.5262	1.5262	1.5262	2.0513	2.0513	2.0513	2.0604	2.0604	2.0604
H2	1.1117		2.1383	2.1383	2.1383	2.3400	2.3400	2.3400	2.9616	2.9616	2.9616
N3	1.5262	2.1383		2.5243	2.5243	1.0663	3.3859	2.6405	1.0682	2.8310	2.5587
N4	1.5262	2.1383	2.5243		2.5243	2.6405	1.0663	3.3859	2.5587	1.0682	2.8310
N5	1.5262	2.1383	2.5243	2.5243		3.3859	2.6405	1.0663	2.8310	2.5587	1.0682
H6	2.0513	2.3400	1.0663	2.6405	3.3859		3.5529	3.5529	1.6441	3.1673	3.5354
H7	2.0513	2.3400	3.3859	1.0663	2.6405	3.5529		3.5529	3.5354	1.6441	3.1673
H8	2.0513	2.3400	2.6405	3.3859	1.0663	3.5529	3.5529		3.1673	3.5354	1.6441
H9	2.0604	2.9616	1.0682	2.5587	2.8310	1.6441	3.5354	3.1673		2.4838	2.4838
H10	2.0604	2.9616	2.8310	1.0682	2.5587	3.1673	1.6441	3.5354	2.4838		2.4838
H11	2.0604	2.9616	2.5587	2.8310	1.0682	3.5354	3.1673	1.6441	2.4838	2.4838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	103.173	C1	N3	H9	103.751
C1	N4	H7	103.173	C1	N4	H10	103.751
C1	N5	H8	103.173	C1	N5	H11	103.751
H2	C1	N3	107.267	H2	C1	N4	107.267
H2	C1	N5	107.267	N3	C1	N4	111.582
N3	C1	N5	111.582	N4	C1	N5	111.582
H6	N3	H9	100.754	H7	N4	H10	100.754
H8	N5	H11	100.754

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/STO-3G

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	0.123
2	H	0.079
3	N	-0.359
4	N	-0.359
5	N	-0.359
6	H	0.155
7	H	0.155
8	H	0.155
9	H	0.137
10	H	0.137
11	H	0.137

<r²>	85.799
(<r²>)^1/2	9.263

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)