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	hartrees
Energy at 0K	-206.318128
Energy at 298.15K	-206.328196
HF Energy	-206.318128
Nuclear repulsion energy	136.779509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3412	3392	3.08
2	A	3321	3301	11.77
3	A	2945	2928	36.21
4	A	1572	1563	40.63
5	A	1319	1311	0.13
6	A	921	916	6.91
7	A	849	844	0.18
8	A	541	538	17.49
9	A	310	308	53.61
10	E	3412	3393	1.99
10	E	3412	3393	1.99
11	E	3326	3306	4.74
11	E	3326	3306	4.74
12	E	1585	1576	14.78
12	E	1585	1576	14.78
13	E	1353	1345	23.05
13	E	1353	1345	23.04
14	E	1188	1181	45.52
14	E	1188	1181	45.52
15	E	1024	1018	39.03
15	E	1024	1018	39.03
16	E	892	887	200.95
16	E	892	887	200.95
17	E	424	422	32.07
17	E	424	422	32.06
18	E	285	283	18.66
18	E	285	283	18.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.480
N3	0.000	1.406	-0.052
N4	1.217	-0.703	-0.052
N5	-1.217	-0.703	-0.052
H6	0.908	1.817	0.223
H7	1.119	-1.694	0.223
H8	-2.027	-0.122	0.223
H9	0.009	1.427	-1.087
H10	1.232	-0.721	-1.087
H11	-1.241	-0.706	-1.087

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1141	1.4666	1.4666	1.4666	2.0357	2.0357	2.0357	2.0369	2.0369	2.0369
H2	1.1141		2.0793	2.0793	2.0793	2.3884	2.3884	2.3884	2.9372	2.9372	2.9372
N3	1.4666	2.0793		2.4347	2.4347	1.0335	3.3073	2.5533	1.0351	2.6668	2.6588
N4	1.4666	2.0793	2.4347		2.4347	2.5533	1.0335	3.3073	2.6588	1.0351	2.6668
N5	1.4666	2.0793	2.4347	2.4347		3.3073	2.5533	1.0335	2.6668	2.6588	1.0351
H6	2.0357	2.3884	1.0335	2.5533	3.3073		3.5173	3.5173	1.6355	2.8743	3.5629
H7	2.0357	2.3884	3.3073	1.0335	2.5533	3.5173		3.5173	3.5629	1.6355	2.8743
H8	2.0357	2.3884	2.5533	3.3073	1.0335	3.5173	3.5173		2.8743	3.5629	1.6355
H9	2.0369	2.9372	1.0351	2.6588	2.6668	1.6355	3.5629	2.8743		2.4724	2.4724
H10	2.0369	2.9372	2.6668	1.0351	2.6588	2.8743	1.6355	3.5629	2.4724		2.4724
H11	2.0369	2.9372	2.6588	2.6668	1.0351	3.5629	2.8743	1.6355	2.4724	2.4724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	107.773	C1	N3	H9	107.771
C1	N4	H7	107.773	C1	N4	H10	107.771
C1	N5	H8	107.773	C1	N5	H11	107.771
H2	C1	N3	106.568	H2	C1	N4	106.568
H2	C1	N5	106.568	N3	C1	N4	112.212
N3	C1	N5	112.212	N4	C1	N5	112.212
H6	N3	H9	104.491	H7	N4	H10	104.491
H8	N5	H11	104.491

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBEPBE/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	0.005
2	H	0.038
3	N	-0.147
4	N	-0.147
5	N	-0.147
6	H	0.079
7	H	0.079
8	H	0.079
9	H	0.054
10	H	0.054
11	H	0.054

<r²>	82.675
(<r²>)^1/2	9.093

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)