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	hartrees
Energy at 0K	-679.056802
Energy at 298.15K	-679.061013
HF Energy	-678.172243
Nuclear repulsion energy	252.535289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2495	2383	39.76
2	A'	1256	1199	211.97
3	A'	1231	1176	320.78
4	A'	1133	1082	16.44
5	A'	860	822	55.60
6	A'	770	736	5.35
7	A'	540	516	2.81
8	A'	433	413	16.29
9	A'	293	280	0.51
10	A"	2499	2387	55.09
11	A"	1247	1191	208.09
12	A"	875	836	42.36
13	A"	540	516	3.73
14	A"	283	270	0.93
15	A"	177	169	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.378	-0.010	0.000
P2	-1.501	-0.095	0.000
F3	0.870	1.234	0.000
F4	0.870	-0.629	1.081
F5	0.870	-0.629	-1.081
H6	-1.624	0.853	-1.037
H7	-1.624	0.853	1.037

	C1	P2	F3	F4	F5	H6	H7
C1		1.8805	1.3379	1.3395	1.3395	2.4139	2.4139
P2	1.8805		2.7187	2.6600	2.6600	1.4105	1.4105
F3	1.3379	2.7187		2.1541	2.1541	2.7285	2.7285
F4	1.3395	2.6600	2.1541		2.1613	3.5922	2.9019
F5	1.3395	2.6600	2.1541	2.1613		2.9019	3.5922
H6	2.4139	1.4105	2.7285	3.5922	2.9019		2.0741
H7	2.4139	1.4105	2.7285	2.9019	3.5922	2.0741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.253	C1	P2	H7	93.253
P2	C1	F3	114.223	P2	C1	F4	110.262
P2	C1	F5	110.262	F3	C1	F4	107.131
F3	C1	F5	107.131	F4	C1	F5	107.555
H6	P2	H7	94.657

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)

using model chemistry: CCD/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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All results from a given calculation for CF3PH2 (phosphine, (trifluoromethyl)-)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)