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	hartrees
Energy at 0K	-205.182142
Energy at 298.15K	-205.192088
HF Energy	-205.182142
Nuclear repulsion energy	138.230282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3902	3523	5.90	76.67	0.65	0.79
2	A	3775	3408	0.20	227.21	0.01	0.02
3	A	3257	2941	64.93	117.14	0.23	0.38
4	A	1827	1649	53.33	0.77	0.69	0.82
5	A	1428	1290	26.63	0.46	0.74	0.85
6	A	971	876	14.16	6.21	0.07	0.14
7	A	716	647	142.70	7.88	0.04	0.08
8	A	572	516	11.10	2.60	0.59	0.74
9	A	329	297	31.65	6.03	0.63	0.78
10	E	3902	3524	4.63	55.72	0.75	0.86
10	E	3902	3524	4.63	55.72	0.75	0.86
11	E	3776	3410	1.97	41.47	0.75	0.86
11	E	3776	3410	1.97	41.47	0.75	0.86
12	E	1827	1649	43.10	7.16	0.75	0.86
12	E	1827	1649	43.10	7.16	0.75	0.86
13	E	1561	1409	30.20	6.65	0.75	0.86
13	E	1561	1409	30.20	6.65	0.75	0.86
14	E	1323	1195	103.67	4.69	0.75	0.86
14	E	1323	1195	103.67	4.69	0.75	0.86
15	E	1108	1000	45.78	6.00	0.75	0.86
15	E	1108	1000	45.78	6.00	0.75	0.86
16	E	706	638	375.24	1.79	0.75	0.86
16	E	706	638	375.24	1.79	0.75	0.86
17	E	465	420	84.15	3.02	0.75	0.86
17	E	465	420	84.15	3.02	0.75	0.86
18	E	235	212	51.22	4.54	0.75	0.86
18	E	235	212	51.22	4.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.449
N3	0.000	1.382	-0.064
N4	1.197	-0.691	-0.064
N5	-1.197	-0.691	-0.064
H6	0.774	1.929	0.242
H7	1.284	-1.635	0.242
H8	-2.057	-0.294	0.242
H9	-0.258	1.542	-1.013
H10	1.464	-0.547	-1.013
H11	-1.206	-0.995	-1.013

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0792	1.4486	1.4486	1.4486	2.0823	2.0823	2.0823	2.0873	2.0873	2.0873
H2	1.0792		2.0494	2.0494	2.0494	2.4033	2.4033	2.4033	2.9166	2.9166	2.9166
N3	1.4486	2.0494		2.3939	2.3939	0.9957	3.2927	2.6717	0.9965	2.6016	2.8292
N4	1.4486	2.0494	2.3939		2.3939	2.6717	0.9957	3.2927	2.8292	0.9965	2.6016
N5	1.4486	2.0494	2.3939	2.3939		3.2927	2.6717	0.9957	2.6016	2.8292	0.9965
H6	2.0823	2.4033	0.9957	2.6717	3.2927		3.5998	3.5998	1.6706	2.8610	3.7475
H7	2.0823	2.4033	3.2927	0.9957	2.6717	3.5998		3.5998	3.7475	1.6706	2.8610
H8	2.0823	2.4033	2.6717	3.2927	0.9957	3.5998	3.5998		2.8610	3.7475	1.6706
H9	2.0873	2.9166	0.9965	2.8292	2.6016	1.6706	3.7475	2.8610		2.7079	2.7079
H10	2.0873	2.9166	2.6016	0.9965	2.8292	2.8610	1.6706	3.7475	2.7079		2.7079
H11	2.0873	2.9166	2.8292	2.6016	0.9965	3.7475	2.8610	1.6706	2.7079	2.7079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	115.582	C1	N3	H9	115.993
C1	N4	H7	115.582	C1	N4	H10	115.993
C1	N5	H8	115.582	C1	N5	H11	115.993
H2	C1	N3	107.430	H2	C1	N4	107.430
H2	C1	N5	107.430	N3	C1	N4	111.433
N3	C1	N5	111.433	N4	C1	N5	111.433
H6	N3	H9	113.978	H7	N4	H10	113.978
H8	N5	H11	113.978

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/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	0.394
2	H	0.186
3	N	-0.834
4	N	-0.834
5	N	-0.834
6	H	0.330
7	H	0.330
8	H	0.330
9	H	0.311
10	H	0.311
11	H	0.311

<r²>	82.287
(<r²>)^1/2	9.071

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)