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	hartrees
Energy at 0K	-203.680426
Energy at 298.15K	-203.690085
HF Energy	-203.680426
Nuclear repulsion energy	133.874516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3292	19.34
2	A	3537	3124	12.41
3	A	3409	3010	0.91
4	A	1869	1651	14.43
5	A	1519	1341	0.01
6	A	1091	964	0.56
7	A	900	795	2.45
8	A	515	455	14.98
9	A	251	222	110.31
10	E	3726	3290	2.32
10	E	3726	3290	2.32
11	E	3546	3131	11.97
11	E	3546	3131	11.97
12	E	1875	1656	3.85
12	E	1875	1656	3.85
13	E	1521	1343	23.25
13	E	1521	1343	23.25
14	E	1312	1158	37.65
14	E	1312	1158	37.65
15	E	1190	1051	11.26
15	E	1190	1051	11.26
16	E	989	873	123.55
16	E	989	873	123.57
17	E	405	357	28.45
17	E	405	357	28.46
18	E	256	226	17.28
18	E	256	226	17.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
H2	0.000	0.000	1.485
N3	0.000	1.441	-0.073
N4	1.248	-0.720	-0.073
N5	-1.248	-0.720	-0.073
H6	0.875	1.844	0.361
H7	1.160	-1.680	0.361
H8	-2.035	-0.165	0.361
H9	0.271	1.399	-1.096
H10	1.076	-0.934	-1.096
H11	-1.347	-0.465	-1.096

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1088	1.5094	1.5094	1.5094	2.0414	2.0414	2.0414	2.0489	2.0489	2.0489
H2	1.1088		2.1225	2.1225	2.1225	2.3303	2.3303	2.3303	2.9484	2.9484	2.9484
N3	1.5094	2.1225		2.4956	2.4956	1.0568	3.3574	2.6281	1.0588	2.8007	2.5478
N4	1.5094	2.1225	2.4956		2.4956	2.6281	1.0568	3.3574	2.5478	1.0588	2.8007
N5	1.5094	2.1225	2.4956	2.4956		3.3574	2.6281	1.0568	2.8007	2.5478	1.0588
H6	2.0414	2.3303	1.0568	2.6281	3.3574		3.5357	3.5357	1.6391	3.1441	3.5201
H7	2.0414	2.3303	3.3574	1.0568	2.6281	3.5357		3.5357	3.5201	1.6391	3.1441
H8	2.0414	2.3303	2.6281	3.3574	1.0568	3.5357	3.5357		3.1441	3.5201	1.6391
H9	2.0489	2.9484	1.0588	2.5478	2.8007	1.6391	3.5201	3.1441		2.4679	2.4679
H10	2.0489	2.9484	2.8007	1.0588	2.5478	3.1441	1.6391	3.5201	2.4679		2.4679
H11	2.0489	2.9484	2.5478	2.8007	1.0588	3.5201	3.1441	1.6391	2.4679	2.4679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	104.009	C1	N3	H9	104.473
C1	N4	H7	104.009	C1	N4	H10	104.473
C1	N5	H8	104.009	C1	N5	H11	104.473
H2	C1	N3	107.335	H2	C1	N4	107.335
H2	C1	N5	107.335	N3	C1	N4	111.521
N3	C1	N5	111.521	N4	C1	N5	111.521
H6	N3	H9	101.571	H7	N4	H10	101.571
H8	N5	H11	101.571

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HSEh1PBE/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	0.119
2	H	0.088
3	N	-0.382
4	N	-0.382
5	N	-0.382
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.147
10	H	0.147
11	H	0.147

<r²>	84.407
(<r²>)^1/2	9.187

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)