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	hartrees
Energy at 0K	-205.319567
Energy at 298.15K	-205.329894
HF Energy	-205.319567
Nuclear repulsion energy	138.545153

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	3793	3454	2.38	82.81	0.56	0.71
2	A	3703	3372	0.82	270.98	0.02	0.04
3	A	3219	2931	42.13	109.21	0.23	0.37
4	A	1767	1609	46.63	0.29	0.67	0.80
5	A	1451	1321	4.41	1.85	0.04	0.07
6	A	981	893	23.17	10.39	0.10	0.19
7	A	931	848	3.79	3.47	0.14	0.24
8	A	588	536	11.47	2.44	0.03	0.06
9	A	309	282	69.22	0.03	0.64	0.78
10	E	3792	3453	2.57	38.52	0.75	0.86
10	E	3792	3453	2.57	38.52	0.75	0.86
11	E	3704	3372	2.13	20.15	0.75	0.86
11	E	3704	3372	2.13	20.15	0.75	0.86
12	E	1778	1619	38.44	2.40	0.75	0.86
12	E	1778	1619	38.44	2.40	0.75	0.86
13	E	1535	1398	29.16	3.71	0.75	0.86
13	E	1535	1398	29.16	3.71	0.75	0.86
14	E	1308	1191	75.13	2.67	0.75	0.86
14	E	1308	1191	75.13	2.67	0.75	0.86
15	E	1129	1028	58.69	4.62	0.75	0.86
15	E	1129	1028	58.69	4.62	0.75	0.86
16	E	963	877	190.86	0.14	0.75	0.86
16	E	963	877	190.86	0.14	0.75	0.86
17	E	474	432	37.92	0.48	0.75	0.86
17	E	474	432	37.92	0.48	0.75	0.86
18	E	279	254	20.28	0.53	0.75	0.86
18	E	279	254	20.28	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.454
N3	0.000	1.387	-0.056
N4	1.201	-0.694	-0.056
N5	-1.201	-0.694	-0.056
H6	0.848	1.837	0.236
H7	1.166	-1.653	0.236
H8	-2.015	-0.184	0.236
H9	-0.045	1.459	-1.058
H10	1.286	-0.691	-1.058
H11	-1.241	-0.768	-1.058

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0887	1.4500	1.4500	1.4500	2.0271	2.0271	2.0271	2.0383	2.0383	2.0383
H2	1.0887		2.0508	2.0508	2.0508	2.3612	2.3612	2.3612	2.9049	2.9049	2.9049
N3	1.4500	2.0508		2.4029	2.4029	1.0036	3.2695	2.5715	1.0050	2.6407	2.6811
N4	1.4500	2.0508	2.4029		2.4029	2.5715	1.0036	3.2695	2.6811	1.0050	2.6407
N5	1.4500	2.0508	2.4029	2.4029		3.2695	2.5715	1.0036	2.6407	2.6811	1.0050
H6	2.0271	2.3612	1.0036	2.5715	3.2695		3.5040	3.5040	1.6173	2.8727	3.5810
H7	2.0271	2.3612	3.2695	1.0036	2.5715	3.5040		3.5040	3.5810	1.6173	2.8727
H8	2.0271	2.3612	2.5715	3.2695	1.0036	3.5040	3.5040		2.8727	3.5810	1.6173
H9	2.0383	2.9049	1.0050	2.6811	2.6407	1.6173	3.5810	2.8727		2.5276	2.5276
H10	2.0383	2.9049	2.6407	1.0050	2.6811	2.8727	1.6173	3.5810	2.5276		2.5276
H11	2.0383	2.9049	2.6811	2.6407	1.0050	3.5810	2.8727	1.6173	2.5276	2.5276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.088	C1	N3	H9	110.955
C1	N4	H7	110.088	C1	N4	H10	110.955
C1	N5	H8	110.088	C1	N5	H11	110.955
H2	C1	N3	106.906	H2	C1	N4	106.906
H2	C1	N5	106.906	N3	C1	N4	111.911
N3	C1	N5	111.911	N4	C1	N5	111.910
H6	N3	H9	107.255	H7	N4	H10	107.255
H8	N5	H11	107.255

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/aug-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	1.160
2	H	-0.130
3	N	-0.292
4	N	-0.292
5	N	-0.292
6	H	-0.015
7	H	-0.015
8	H	-0.015
9	H	-0.037
10	H	-0.037
11	H	-0.037

<r²>	81.865
(<r²>)^1/2	9.048

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)