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	hartrees
Energy at 0K	-529.119805
Energy at 298.15K	-529.123666
HF Energy	-527.458440
Nuclear repulsion energy	433.421416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3100	0.00
2	A₁	3237	3080	2.17
3	A₁	1668	1587	0.20
4	A₁	1564	1488	216.29
5	A₁	1340	1275	69.33
6	A₁	1263	1202	22.87
7	A₁	1082	1029	10.55
8	A₁	840	799	11.40
9	A₁	703	669	20.79
10	A₁	482	459	0.12
11	A₁	304	290	1.45
12	A₂	878	835	0.00
13	A₂	579	551	0.00
14	A₂	254	242	0.00
15	B₁	922	877	0.30
16	B₁	768	731	71.17
17	B₁	610	580	0.53
18	B₁	524	498	0.05
19	B₁	307	292	0.08
20	B₁	152	145	0.17
21	B₂	3252	3094	0.01
22	B₂	1663	1583	78.83
23	B₂	1519	1445	83.97
24	B₂	1466	1395	0.86
25	B₂	1274	1212	42.31
26	B₂	1177	1119	2.72
27	B₂	1043	992	123.88
28	B₂	579	550	2.45
29	B₂	504	479	1.45
30	B₂	277	264	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.723
C2	1.199	0.016
C3	-1.199	0.016
C4	1.211	-1.370
C5	-1.211	-1.370
C6	0.000	-2.059
F7	0.000	2.053
F8	2.342	0.706
F9	-2.342	0.706
H10	2.160	-1.885
H11	-2.160	-1.885
H12	0.000	-3.139

	C1	C2	C3	C4	C5	C6	F7	F8	F9	H10	H11	H12
C1		1.3918	1.3918	2.4183	2.4183	2.7819	1.3298	2.3416	2.3416	3.3862	3.3862	3.8620
C2	1.3918		2.3983	1.3868	2.7805	2.3969	2.3631	1.3342	3.6071	2.1302	3.8600	3.3757
C3	1.3918	2.3983		2.7805	1.3868	2.3969	2.3631	3.6071	1.3342	3.8600	2.1302	3.3757
C4	2.4183	1.3868	2.7805		2.4218	1.3930	3.6309	2.3638	4.1145	1.0798	3.4102	2.1435
C5	2.4183	2.7805	1.3868	2.4218		1.3930	3.6309	4.1145	2.3638	3.4102	1.0798	2.1435
C6	2.7819	2.3969	2.3969	1.3930	1.3930		4.1117	3.6229	3.6229	2.1673	2.1673	1.0801
F7	1.3298	2.3631	2.3631	3.6309	3.6309	4.1117		2.7014	2.7014	4.4911	4.4911	5.1918
F8	2.3416	1.3342	3.6071	2.3638	4.1145	3.6229	2.7014		4.6831	2.5965	5.1938	4.5016
F9	2.3416	3.6071	1.3342	4.1145	2.3638	3.6229	2.7014	4.6831		5.1938	2.5965	4.5016
H10	3.3862	2.1302	3.8600	1.0798	3.4102	2.1673	4.4911	2.5965	5.1938		4.3206	2.4981
H11	3.3862	3.8600	2.1302	3.4102	1.0798	2.1673	4.4911	5.1938	2.5965	4.3206		2.4981
H12	3.8620	3.3757	3.3757	2.1435	2.1435	1.0801	5.1918	4.5016	4.5016	2.4981	2.4981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.989	C1	C2	F8	118.397
C1	C3	C5	120.989	C1	C3	F9	118.397
C2	C1	C3	118.992	C2	C1	F7	120.504
C2	C4	C6	119.141	C2	C4	H10	118.930
C3	C1	F7	120.504	C3	C5	C6	119.141
C3	C5	H11	118.930	C4	C2	F8	120.614
C4	C6	C5	120.747	C4	C6	H12	119.626
C5	C3	F9	120.614	C5	C6	H12	119.626
C6	C4	H10	121.929	C6	C5	H11	121.929

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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