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	hartrees
Energy at 0K	-205.298039
Energy at 298.15K	-205.308493
HF Energy	-205.298039
Nuclear repulsion energy	138.717856

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	3776	3428	0.22	104.05	0.54	0.71
2	A	3690	3350	1.35	241.60	0.04	0.07
3	A	3215	2919	57.81	125.95	0.25	0.40
4	A	1776	1613	43.30	1.17	0.56	0.72
5	A	1471	1335	3.90	0.11	0.72	0.84
6	A	1012	919	15.95	0.24	0.51	0.68
7	A	956	868	1.10	9.67	0.09	0.16
8	A	595	541	17.68	1.68	0.26	0.42
9	A	322	293	75.64	0.52	0.74	0.85
10	E	3775	3427	1.52	58.45	0.75	0.86
10	E	3775	3427	1.52	58.45	0.75	0.86
11	E	3690	3351	0.59	23.00	0.75	0.86
11	E	3690	3351	0.59	23.00	0.75	0.86
12	E	1788	1623	31.49	5.89	0.75	0.86
12	E	1788	1623	31.49	5.89	0.75	0.86
13	E	1543	1401	38.31	5.76	0.75	0.86
13	E	1543	1401	38.31	5.76	0.75	0.86
14	E	1320	1199	87.75	2.93	0.75	0.86
14	E	1320	1199	87.75	2.93	0.75	0.86
15	E	1145	1040	69.74	4.10	0.75	0.86
15	E	1145	1040	69.74	4.10	0.75	0.86
16	E	1008	915	189.29	2.03	0.75	0.86
16	E	1008	915	189.29	2.03	0.75	0.86
17	E	480	436	36.13	1.44	0.75	0.86
17	E	480	436	36.13	1.44	0.75	0.86
18	E	309	280	19.44	2.87	0.75	0.86
18	E	309	280	19.44	2.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.364
H2	0.000	0.000	1.455
N3	0.000	1.385	-0.057
N4	1.200	-0.693	-0.057
N5	-1.200	-0.693	-0.057
H6	0.854	1.824	0.247
H7	1.153	-1.652	0.247
H8	-2.007	-0.173	0.247
H9	0.002	1.438	-1.064
H10	1.245	-0.721	-1.064
H11	-1.247	-0.717	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0913	1.4479	1.4479	1.4479	2.0178	2.0178	2.0178	2.0269	2.0269	2.0269
H2	1.0913		2.0507	2.0507	2.0507	2.3489	2.3489	2.3489	2.9011	2.9011	2.9011
N3	1.4479	2.0507		2.3996	2.3996	1.0071	3.2628	2.5589	1.0088	2.6459	2.6440
N4	1.4479	2.0507	2.3996		2.3996	2.5589	1.0071	3.2628	2.6440	1.0088	2.6459
N5	1.4479	2.0507	2.3996	2.3996		3.2628	2.5589	1.0071	2.6459	2.6440	1.0088
H6	2.0178	2.3489	1.0071	2.5589	3.2628		3.4890	3.4890	1.6106	2.8899	3.5486
H7	2.0178	2.3489	3.2628	1.0071	2.5589	3.4890		3.4890	3.5486	1.6106	2.8899
H8	2.0178	2.3489	2.5589	3.2628	1.0071	3.4890	3.4890		2.8899	3.5486	1.6106
H9	2.0269	2.9011	1.0088	2.6440	2.6459	1.6106	3.5486	2.8899		2.4913	2.4913
H10	2.0269	2.9011	2.6459	1.0088	2.6440	2.8899	1.6106	3.5486	2.4913		2.4913
H11	2.0269	2.9011	2.6440	2.6459	1.0088	3.5486	2.8899	1.6106	2.4913	2.4913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.240	C1	N3	H9	109.900
C1	N4	H7	109.240	C1	N4	H10	109.900
C1	N5	H8	109.240	C1	N5	H11	109.900
H2	C1	N3	106.891	H2	C1	N4	106.891
H2	C1	N5	106.891	N3	C1	N4	111.924
N3	C1	N5	111.924	N4	C1	N5	111.924
H6	N3	H9	106.063	H7	N4	H10	106.063
H8	N5	H11	106.063

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/cc-pVDZ

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	0.256
2	H	0.038
3	N	-0.263
4	N	-0.263
5	N	-0.263
6	H	0.095
7	H	0.095
8	H	0.095
9	H	0.070
10	H	0.070
11	H	0.070

<r²>	81.085
(<r²>)^1/2	9.005

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)