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	hartrees
Energy at 0K	-529.240400
Energy at 298.15K	-529.232477
HF Energy	-527.241019
Nuclear repulsion energy	436.845931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3413	3216	1.94
2	A₁	3389	3193	5.23
3	A₁	1826	1720	0.18
4	A₁	1712	1613	236.24
5	A₁	1459	1375	61.91
6	A₁	1383	1303	43.19
7	A₁	1165	1098	9.42
8	A₁	903	851	14.13
9	A₁	757	713	27.58
10	A₁	523	492	0.08
11	A₁	329	310	2.33
12	A₂	1001	943	0.00
13	A₂	644	607	0.00
14	A₂	283	266	0.00
15	B₁	1091	1028	1.66
16	B₁	871	821	87.48
17	B₁	749	706	0.97
18	B₁	594	560	0.20
19	B₁	342	322	0.70
20	B₁	171	161	0.33
21	B₂	3407	3210	3.09
22	B₂	1825	1720	98.13
23	B₂	1660	1564	94.67
24	B₂	1393	1313	47.58
25	B₂	1317	1241	3.20
26	B₂	1216	1146	3.20
27	B₂	1133	1067	136.92
28	B₂	629	593	4.46
29	B₂	545	514	1.28
30	B₂	296	279	0.17

Atom	y (Å)	z (Å)
C1	0.000	0.721
C2	1.201	0.014
C3	-1.201	0.014
C4	1.213	-1.376
C5	-1.213	-1.376
C6	0.000	-2.066
F7	0.000	2.061
F8	2.350	0.711
F9	-2.350	0.711
H10	2.168	-1.893
H11	-2.168	-1.893
H12	0.000	-3.152

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.3940	1.3940	2.4232	2.4232	2.7874	1.3398	2.3496	2.3496	3.3963	3.3963	3.8735
C2	1.3940		2.4023	1.3902	2.7862	2.4019	2.3736	1.3434	3.6185	2.1381	3.8714	3.3863
C3	1.3940	2.4023		2.7862	1.3902	2.4019	2.3736	3.6185	1.3434	3.8714	2.1381	3.3863
C4	2.4232	1.3902	2.7862		2.4268	1.3958	3.6452	2.3763	4.1293	1.0855	3.4206	2.1509
C5	2.4232	2.7862	1.3902	2.4268		1.3958	3.6452	4.1293	2.3763	3.4206	1.0855	2.1509
C6	2.7874	2.4019	2.4019	1.3958	1.3958		4.1272	3.6376	3.6376	2.1748	2.1748	1.0861
F7	1.3398	2.3736	2.3736	3.6452	3.6452	4.1272		2.7099	2.7099	4.5095	4.5095	5.2133
F8	2.3496	1.3434	3.6185	2.3763	4.1293	3.6376	2.7099		4.6992	2.6103	5.2143	4.5215
F9	2.3496	3.6185	1.3434	4.1293	2.3763	3.6376	2.7099	4.6992		5.2143	2.6103	4.5215
H10	3.3963	2.1381	3.8714	1.0855	3.4206	2.1748	4.5095	2.6103	5.2143		4.3358	2.5070
H11	3.3963	3.8714	2.1381	3.4206	1.0855	2.1748	4.5095	5.2143	2.6103	4.3358		2.5070
H12	3.8735	3.3863	3.3863	2.1509	2.1509	1.0861	5.2133	4.5215	4.5215	2.5070	2.5070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.195	C1	C2	F8	118.445
C1	C3	C5	121.195	C1	C3	F9	118.445
C2	C1	C3	118.992	C2	C1	F7	120.504
C2	C4	C6	118.927	C2	C4	H10	119.077
C3	C1	F7	120.504	C3	C5	C6	118.927
C3	C5	H11	119.077	C4	C2	F8	120.360
C4	C6	C5	120.763	C4	C6	H12	119.618
C5	C3	F9	120.360	C5	C6	H12	119.618
C6	C4	H10	121.996	C6	C5	H11	121.996

All results from a given calculation for C₆H₃F₃ (Benzene trifluoride 123)

using model chemistry: G2

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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All results from a given calculation for C6H3F3 (Benzene trifluoride 123)

using model chemistry: G2

States and conformations

All results from a given calculation for C₆H₃F₃ (Benzene trifluoride 123)