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	hartrees
Energy at 0K	-206.233386
Energy at 298.15K	-206.243069
HF Energy	-206.233386
Nuclear repulsion energy	136.154823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3532	3483	1.05
2	A	3396	3349	6.97
3	A	2984	2943	48.50
4	A	1635	1612	55.64
5	A	1303	1285	4.69
6	A	885	873	11.70
7	A	678	668	69.49
8	A	529	522	1.75
9	A	323	318	48.18
10	E	3532	3483	0.86
10	E	3532	3483	0.86
11	E	3401	3354	6.44
11	E	3401	3354	6.44
12	E	1639	1617	24.44
12	E	1639	1617	24.44
13	E	1383	1364	23.61
13	E	1383	1364	23.62
14	E	1193	1177	61.90
14	E	1193	1177	61.90
15	E	998	984	38.08
15	E	998	984	38.08
16	E	660	651	330.10
16	E	660	651	330.09
17	E	419	413	77.63
17	E	419	413	77.63
18	E	241	238	33.39
18	E	241	238	33.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.477
N3	0.000	1.404	-0.059
N4	1.216	-0.702	-0.059
N5	-1.216	-0.702	-0.059
H6	0.833	1.919	0.241
H7	1.246	-1.681	0.241
H8	-2.079	-0.238	0.241
H9	-0.180	1.519	-1.062
H10	1.405	-0.603	-1.062
H11	-1.225	-0.916	-1.062

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1056	1.4685	1.4685	1.4685	2.0964	2.0964	2.0964	2.0962	2.0962	2.0962
H2	1.1056		2.0811	2.0811	2.0811	2.4300	2.4300	2.4300	2.9642	2.9642	2.9642
N3	1.4685	2.0811		2.4318	2.4318	1.0246	3.3407	2.6663	1.0255	2.6477	2.8084
N4	1.4685	2.0811	2.4318		2.4318	2.6663	1.0246	3.3407	2.8084	1.0255	2.6477
N5	1.4685	2.0811	2.4318	2.4318		3.3407	2.6663	1.0246	2.6477	2.8084	1.0255
H6	2.0964	2.4300	1.0246	2.6663	3.3407		3.6242	3.6242	1.6990	2.8967	3.7380
H7	2.0964	2.4300	3.3407	1.0246	2.6663	3.6242		3.6242	3.7380	1.6990	2.8967
H8	2.0964	2.4300	2.6663	3.3407	1.0246	3.6242	3.6242		2.8967	3.7380	1.6990
H9	2.0962	2.9642	1.0255	2.8084	2.6477	1.6990	3.7380	2.8967		2.6491	2.6491
H10	2.0962	2.9642	2.6477	1.0255	2.8084	2.8967	1.6990	3.7380	2.6491		2.6491
H11	2.0962	2.9642	2.8084	2.6477	1.0255	3.7380	2.8967	1.6990	2.6491	2.6491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.263	C1	N3	H9	113.190
C1	N4	H7	113.263	C1	N4	H10	113.190
C1	N5	H8	113.264	C1	N5	H11	113.190
H2	C1	N3	107.049	H2	C1	N4	107.049
H2	C1	N5	107.049	N3	C1	N4	111.781
N3	C1	N5	111.781	N4	C1	N5	111.781
H6	N3	H9	111.934	H7	N4	H10	111.934
H8	N5	H11	111.934

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBEPBE/6-31G

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	0.105
2	H	0.175
3	N	-0.640
4	N	-0.640
5	N	-0.640
6	H	0.286
7	H	0.286
8	H	0.286
9	H	0.261
10	H	0.261
11	H	0.261

<r²>	83.913
(<r²>)^1/2	9.160

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)