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	hartrees
Energy at 0K	-680.246617
Energy at 298.15K	-680.250480
HF Energy	-680.246617
Nuclear repulsion energy	247.514418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2324	2315	41.08
2	A'	1109	1105	133.61
3	A'	1077	1073	304.90
4	A'	1050	1046	83.63
5	A'	795	792	58.88
6	A'	696	694	3.08
7	A'	493	491	0.69
8	A'	386	384	9.79
9	A'	265	264	0.56
10	A"	2332	2323	53.93
11	A"	1071	1067	188.81
12	A"	806	803	52.22
13	A"	491	489	1.11
14	A"	255	254	0.73
15	A"	159	158	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.383	-0.002	0.000
P2	-1.527	-0.113	0.000
F3	0.887	1.270	0.000
F4	0.887	-0.635	1.104
F5	0.887	-0.635	-1.104
H6	-1.669	0.859	-1.041
H7	-1.669	0.859	1.041

	C1	P2	F3	F4	F5	H6	H7
C1		1.9127	1.3679	1.3695	1.3695	2.4564	2.4564
P2	1.9127		2.7820	2.7052	2.7052	1.4316	1.4316
F3	1.3679	2.7820		2.2023	2.2023	2.7902	2.7902
F4	1.3695	2.7052	2.2023		2.2086	3.6563	2.9614
F5	1.3695	2.7052	2.2023	2.2086		2.9614	3.6563
H6	2.4564	1.4316	2.7902	3.6563	2.9614		2.0822
H7	2.4564	1.4316	2.7902	2.9614	3.6563	2.0822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.411	C1	P2	H7	93.411
P2	C1	F3	114.980	P2	C1	F4	109.910
P2	C1	F5	109.910	F3	C1	F4	107.127
F3	C1	F5	107.127	F4	C1	F5	107.485
H6	P2	H7	93.315

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.351
2	P	0.193
3	F	-0.179
4	F	-0.184
5	F	-0.184
6	H	0.001
7	H	0.001

	x	y	z	Total
	-1.622	0.688	0.000	1.762
CHELPG
AIM
ESP

	x	y	z
x	6.013	-0.116	0.000
y	-0.116	5.078	0.000
z	0.000	0.000	5.322

<r²>	132.210
(<r²>)^1/2	11.498

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

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

States and conformations

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