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	hartrees
Energy at 0K	-206.485759
Energy at 298.15K	-206.495871
HF Energy	-206.485759
Nuclear repulsion energy	137.031469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3460	3460	7.59
2	A	3367	3367	18.91
3	A	2986	2986	43.76
4	A	1665	1665	62.50
5	A	1354	1354	0.40
6	A	941	941	13.34
7	A	844	844	0.27
8	A	553	553	20.51
9	A	318	318	67.50
10	E	3460	3460	3.79
10	E	3460	3460	3.79
11	E	3370	3370	7.54
11	E	3370	3370	7.54
12	E	1677	1677	24.11
12	E	1677	1677	24.11
13	E	1399	1399	21.21
13	E	1399	1399	21.21
14	E	1207	1207	43.43
14	E	1207	1207	43.42
15	E	1023	1023	62.14
15	E	1023	1023	62.16
16	E	892	892	240.64
16	E	892	892	240.65
17	E	432	432	36.45
17	E	432	432	36.44
18	E	288	288	23.84
18	E	288	288	23.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.467
N3	0.000	1.406	-0.053
N4	1.217	-0.703	-0.053
N5	-1.217	-0.703	-0.053
H6	0.889	1.825	0.223
H7	1.136	-1.683	0.223
H8	-2.025	-0.142	0.223
H9	-0.029	1.444	-1.075
H10	1.265	-0.697	-1.075
H11	-1.236	-0.747	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0998	1.4671	1.4671	1.4671	2.0354	2.0354	2.0354	2.0410	2.0410	2.0410
H2	1.0998		2.0706	2.0706	2.0706	2.3812	2.3812	2.3812	2.9237	2.9237	2.9237
N3	1.4671	2.0706		2.4344	2.4344	1.0214	3.3021	2.5641	1.0228	2.6578	2.6841
N4	1.4671	2.0706	2.4344		2.4344	2.5641	1.0214	3.3021	2.6841	1.0228	2.6578
N5	1.4671	2.0706	2.4344	2.4344		3.3021	2.5641	1.0214	2.6578	2.6841	1.0228
H6	2.0354	2.3812	1.0214	2.5641	3.3021		3.5166	3.5166	1.6350	2.8612	3.5801
H7	2.0354	2.3812	3.3021	1.0214	2.5641	3.5166		3.5166	3.5801	1.6350	2.8612
H8	2.0354	2.3812	2.5641	3.3021	1.0214	3.5166	3.5166		2.8612	3.5801	1.6350
H9	2.0410	2.9237	1.0228	2.6841	2.6578	1.6350	3.5801	2.8612		2.5013	2.5013
H10	2.0410	2.9237	2.6578	1.0228	2.6841	2.8612	1.6350	3.5801	2.5013		2.5013
H11	2.0410	2.9237	2.6841	2.6578	1.0228	3.5801	2.8612	1.6350	2.5013	2.5013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.423	C1	N3	H9	108.804
C1	N4	H7	108.423	C1	N4	H10	108.804
C1	N5	H8	108.423	C1	N5	H11	108.804
H2	C1	N3	106.663	H2	C1	N4	106.663
H2	C1	N5	106.663	N3	C1	N4	112.127
N3	C1	N5	112.127	N4	C1	N5	112.127
H6	N3	H9	106.232	H7	N4	H10	106.232
H8	N5	H11	106.232

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B97D3/6-311G*

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	0.123
2	H	0.206
3	N	-0.694
4	N	-0.694
5	N	-0.694
6	H	0.310
7	H	0.310
8	H	0.310
9	H	0.275
10	H	0.275
11	H	0.275

	x	y	z
x	5.675	0.000	0.000
y	0.000	5.675	-0.000
z	0.000	-0.000	5.352

<r²>	82.928
(<r²>)^1/2	9.106

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)