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	hartrees
Energy at 0K	-203.796522
Energy at 298.15K	-203.806144
HF Energy	-203.796522
Nuclear repulsion energy	133.925820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3282	18.29
2	A	3526	3113	11.73
3	A	3399	3001	0.78
4	A	1859	1642	14.30
5	A	1507	1331	0.02
6	A	1075	950	0.45
7	A	893	788	2.34
8	A	507	447	14.92
9	A	251	222	110.92
10	E	3715	3280	2.13
10	E	3715	3280	2.13
11	E	3534	3121	11.54
11	E	3534	3121	11.54
12	E	1865	1647	3.94
12	E	1865	1647	3.94
13	E	1512	1335	23.18
13	E	1512	1335	23.18
14	E	1300	1148	37.45
14	E	1300	1148	37.44
15	E	1180	1042	10.60
15	E	1180	1042	10.60
16	E	975	861	127.19
16	E	975	861	127.21
17	E	400	353	29.66
17	E	400	353	29.66
18	E	254	224	16.47
18	E	254	224	16.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.483
N3	0.000	1.440	-0.074
N4	1.247	-0.720	-0.074
N5	-1.247	-0.720	-0.074
H6	0.869	1.848	0.367
H7	1.166	-1.676	0.367
H8	-2.035	-0.172	0.367
H9	0.274	1.402	-1.095
H10	1.077	-0.939	-1.095
H11	-1.352	-0.463	-1.095

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1080	1.5083	1.5083	1.5083	2.0423	2.0423	2.0423	2.0499	2.0499	2.0499
H2	1.1080		2.1204	2.1204	2.1204	2.3272	2.3272	2.3272	2.9472	2.9472	2.9472
N3	1.5083	2.1204		2.4942	2.4942	1.0561	3.3566	2.6332	1.0581	2.8040	2.5482
N4	1.5083	2.1204	2.4942		2.4942	2.6332	1.0561	3.3566	2.5482	1.0581	2.8040
N5	1.5083	2.1204	2.4942	2.4942		3.3566	2.6332	1.0561	2.8040	2.5482	1.0581
H6	2.0423	2.3272	1.0561	2.6332	3.3566		3.5373	3.5373	1.6397	3.1542	3.5230
H7	2.0423	2.3272	3.3566	1.0561	2.6332	3.5373		3.5373	3.5230	1.6397	3.1542
H8	2.0423	2.3272	2.6332	3.3566	1.0561	3.5373	3.5373		3.1542	3.5230	1.6397
H9	2.0499	2.9472	1.0581	2.5482	2.8040	1.6397	3.5230	3.1542		2.4751	2.4751
H10	2.0499	2.9472	2.8040	1.0581	2.5482	3.1542	1.6397	3.5230	2.4751		2.4751
H11	2.0499	2.9472	2.5482	2.8040	1.0581	3.5230	3.1542	1.6397	2.4751	2.4751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	104.183	C1	N3	H9	104.656
C1	N4	H7	104.183	C1	N4	H10	104.656
C1	N5	H8	104.183	C1	N5	H11	104.656
H2	C1	N3	107.299	H2	C1	N4	107.299
H2	C1	N5	107.299	N3	C1	N4	111.553
N3	C1	N5	111.553	N4	C1	N5	111.553
H6	N3	H9	101.715	H7	N4	H10	101.715
H8	N5	H11	101.715

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B1B95/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	0.126
2	H	0.088
3	N	-0.386
4	N	-0.386
5	N	-0.386
6	H	0.166
7	H	0.166
8	H	0.166
9	H	0.148
10	H	0.148
11	H	0.148

<r²>	84.376
(<r²>)^1/2	9.186

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)