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	hartrees
Energy at 0K	-84.430272
Energy at 298.15K	-84.434362
HF Energy	-84.430272
Nuclear repulsion energy	105.979695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2444	2203	73.43
2	A'	1239	1117	201.19
3	A'	1231	1109	276.35
4	A'	1165	1050	52.07
5	A'	890	802	61.36
6	A'	736	664	2.93
7	A'	519	468	7.94
8	A'	420	379	36.87
9	A'	287	258	2.21
10	A"	2475	2231	113.49
11	A"	1238	1116	198.22
12	A"	902	813	68.74
13	A"	517	466	10.15
14	A"	280	253	3.15
15	A"	148	134	15.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.376	-0.021	0.000
P2	-1.545	-0.081	0.000
F3	0.899	1.256	0.000
F4	0.899	-0.649	1.105
F5	0.899	-0.649	-1.105
H6	-1.684	0.860	-1.071
H7	-1.684	0.860	1.071

	C1	P2	F3	F4	F5	H6	H7
C1		1.9218	1.3803	1.3746	1.3746	2.4835	2.4835
P2	1.9218		2.7859	2.7421	2.7421	1.4321	1.4321
F3	1.3803	2.7859		2.2025	2.2025	2.8247	2.8247
F4	1.3746	2.7421	2.2025		2.2105	3.6997	2.9922
F5	1.3746	2.7421	2.2025	2.2105		2.9922	3.6997
H6	2.4835	1.4321	2.8247	3.6997	2.9922		2.1418
H7	2.4835	1.4321	2.8247	2.9922	3.6997	2.1418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	94.415	C1	P2	H7	94.415
P2	C1	F3	114.053	P2	C1	F4	111.494
P2	C1	F5	111.494	F3	C1	F4	106.157
F3	C1	F5	106.157	F4	C1	F5	107.033
H6	P2	H7	96.799

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.276
2	P	0.432
3	F	-0.225
4	F	-0.219
5	F	-0.219
6	H	-0.023
7	H	-0.023

	x	y	z	Total
	-3.117	1.457	0.000	3.440
CHELPG
AIM
ESP

	x	y	z
x	5.128	-0.310	0.000
y	-0.310	3.718	0.000
z	0.000	0.000	4.622

<r²>	95.389
(<r²>)^1/2	9.767

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

using model chemistry: HF/CEP-31G

States and conformations

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