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	hartrees
Energy at 0K	-205.351908
Energy at 298.15K	-205.361855
HF Energy	-205.351908
Nuclear repulsion energy	136.587646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3566	3566	0.78
2	A	3452	3452	6.94
3	A	3131	3131	37.72
4	A	1719	1719	50.15
5	A	1374	1374	3.93
6	A	912	912	17.32
7	A	759	759	20.88
8	A	551	551	21.29
9	A	308	308	77.49
10	E	3566	3566	0.01
10	E	3566	3566	0.01
11	E	3456	3456	0.85
11	E	3456	3456	0.85
12	E	1723	1723	22.58
12	E	1723	1723	22.62
13	E	1432	1432	17.06
13	E	1432	1432	17.02
14	E	1235	1235	49.20
14	E	1235	1235	49.22
15	E	1048	1048	38.73
15	E	1048	1048	38.65
16	E	754	754	344.76
16	E	754	754	344.88
17	E	429	429	66.21
17	E	429	429	66.20
18	E	270	270	36.86
18	E	270	270	36.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.465
N3	0.000	1.403	-0.060
N4	1.215	-0.702	-0.060
N5	-1.215	-0.702	-0.060
H6	0.838	1.888	0.263
H7	1.216	-1.670	0.263
H8	-2.054	-0.218	0.263
H9	-0.089	1.485	-1.076
H10	1.331	-0.666	-1.076
H11	-1.242	-0.819	-1.076

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0920	1.4687	1.4687	1.4687	2.0690	2.0690	2.0690	2.0769	2.0769	2.0769
H2	1.0920		2.0727	2.0727	2.0727	2.3905	2.3905	2.3905	2.9446	2.9446	2.9446
N3	1.4687	2.0727		2.4307	2.4307	1.0207	3.3210	2.6372	1.0227	2.6617	2.7413
N4	1.4687	2.0727	2.4307		2.4307	2.6372	1.0207	3.3210	2.7413	1.0227	2.6617
N5	1.4687	2.0727	2.4307	2.4307		3.3210	2.6372	1.0207	2.6617	2.7413	1.0227
H6	2.0690	2.3905	1.0207	2.6372	3.3210		3.5784	3.5784	1.6769	2.9256	3.6675
H7	2.0690	2.3905	3.3210	1.0207	2.6372	3.5784		3.5784	3.6675	1.6769	2.9256
H8	2.0690	2.3905	2.6372	3.3210	1.0207	3.5784	3.5784		2.9256	3.6675	1.6769
H9	2.0769	2.9446	1.0227	2.7413	2.6617	1.6769	3.6675	2.9256		2.5775	2.5775
H10	2.0769	2.9446	2.6617	1.0227	2.7413	2.9256	1.6769	3.6675	2.5775		2.5775
H11	2.0769	2.9446	2.7413	2.6617	1.0227	3.6675	2.9256	1.6769	2.5775	2.5775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.146	C1	N3	H9	111.698
C1	N4	H7	111.146	C1	N4	H10	111.698
C1	N5	H8	111.146	C1	N5	H11	111.698
H2	C1	N3	107.159	H2	C1	N4	107.159
H2	C1	N5	107.159	N3	C1	N4	111.681
N3	C1	N5	111.681	N4	C1	N5	111.681
H6	N3	H9	110.296	H7	N4	H10	110.296
H8	N5	H11	110.296

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: wB97X-D/3-21G

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	0.207
2	H	0.246
3	N	-0.701
4	N	-0.701
5	N	-0.701
6	H	0.289
7	H	0.289
8	H	0.289
9	H	0.262
10	H	0.262
11	H	0.262

	x	y	z
x	4.114	0.000	-0.000
y	0.000	4.113	-0.000
z	-0.000	-0.000	4.257

<r²>	82.950
(<r²>)^1/2	9.108

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)