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	hartrees
Energy at 0K	-528.620064
Energy at 298.15K	-528.623677
HF Energy	-527.236416
Nuclear repulsion energy	430.391023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3229	3105
2	A₁	3206	3083
3	A₁	1676	1611
4	A₁	1570	1509
5	A₁	1341	1290
6	A₁	1264	1215
7	A₁	1087	1045
8	A₁	836	804
9	A₁	696	669
10	A₁	480	461
11	A₁	297	285
12	A₂	840	808
13	A₂	553	531
14	A₂	252	242
15	B₁	880	846
16	B₁	752	723
17	B₁	530	510
18	B₁	463	445
19	B₁	300	288
20	B₁	151	145
21	B₂	3224	3100
22	B₂	1674	1609
23	B₂	1528	1469
24	B₂	1373	1321
25	B₂	1281	1232
26	B₂	1195	1149
27	B₂	1039	999
28	B₂	574	552
29	B₂	500	480
30	B₂	264	254

Atom	y (Å)	z (Å)
C1	0.000	0.722
C2	1.202	0.012
C3	-1.202	0.012
C4	1.218	-1.381
C5	-1.218	-1.381
C6	0.000	-2.071
F7	0.000	2.069
F8	2.357	0.714
F9	-2.357	0.714
H10	2.175	-1.899
H11	-2.175	-1.899
H12	0.000	-3.160

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.3956	1.3956	2.4296	2.4296	2.7929	1.3471	2.3571	2.3571	3.4053	3.4053	3.8818
C2	1.3956		2.4036	1.3928	2.7919	2.4051	2.3821	1.3518	3.6275	2.1443	3.8799	3.3923
C3	1.3956	2.4036		2.7919	1.3928	2.4051	2.3821	3.6275	1.3518	3.8799	2.1443	3.3923
C4	2.4296	1.3928	2.7919		2.4357	1.4000	3.6581	2.3844	4.1434	1.0883	3.4321	2.1563
C5	2.4296	2.7919	1.3928	2.4357		1.4000	3.6581	4.1434	2.3844	3.4321	1.0883	2.1563
C6	2.7929	2.4051	2.4051	1.4000	1.4000		4.1400	3.6488	3.6488	2.1818	2.1818	1.0889
F7	1.3471	2.3821	2.3821	3.6581	3.6581	4.1400		2.7187	2.7187	4.5245	4.5245	5.2289
F8	2.3571	1.3518	3.6275	2.3844	4.1434	3.6488	2.7187		4.7143	2.6191	5.2312	4.5349
F9	2.3571	3.6275	1.3518	4.1434	2.3844	3.6488	2.7187	4.7143		5.2312	2.6191	4.5349
H10	3.4053	2.1443	3.8799	1.0883	3.4321	2.1818	4.5245	2.6191	5.2312		4.3498	2.5143
H11	3.4053	3.8799	2.1443	3.4321	1.0883	2.1818	4.5245	5.2312	2.6191	4.3498		2.5143
H12	3.8818	3.3923	3.3923	2.1563	2.1563	1.0889	5.2289	4.5349	4.5349	2.5143	2.5143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.217	C1	C2	F8	118.162
C1	C3	C5	121.217	C1	C3	F9	118.162
C2	C1	C3	118.885	C2	C1	F7	120.557
C2	C4	C6	118.896	C2	C4	H10	119.085
C3	C1	F7	120.557	C3	C5	C6	118.896
C3	C5	H11	119.085	C4	C2	F8	120.621
C4	C6	C5	120.888	C4	C6	H12	119.556
C5	C3	F9	120.621	C5	C6	H12	119.556
C6	C4	H10	122.019	C6	C5	H11	122.019

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

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

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