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	hartrees
Energy at 0K	-679.200221
Energy at 298.15K	-679.204178
HF Energy	-678.150460
Nuclear repulsion energy	277.548315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3062	15.56
2	A'	1408	1326	81.09
3	A'	1191	1122	197.19
4	A'	948	892	155.22
5	A'	853	803	53.75
6	A'	519	489	53.73
7	A'	490	461	66.20
8	A'	388	366	48.59
9	A'	276	260	0.98
10	A"	3361	3164	6.29
11	A"	1042	981	190.41
12	A"	812	764	3.63
13	A"	460	433	0.57
14	A"	373	351	13.71
15	A"	188	177	0.50

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.115	0.000
C2	-0.483	1.650	0.000
F3	1.442	-0.391	0.000
F4	-0.483	-0.694	1.218
F5	-0.483	-0.694	-1.218
H6	-0.516	2.188	-0.932
H7	-0.516	2.188	0.932

	P1	C2	F3	F4	F5	H6	H7
P1		1.6024	1.5497	1.5327	1.5327	2.3253	2.3253
C2	1.6024		2.8055	2.6412	2.6412	1.0768	1.0768
F3	1.5497	2.8055		2.2981	2.2981	3.3688	3.3688
F4	1.5327	2.6412	2.2981		2.4351	3.5952	2.8956
F5	1.5327	2.6412	2.2981	2.4351		2.8956	3.5952
H6	2.3253	1.0768	3.3688	3.5952	2.8956		1.8649
H7	2.3253	1.0768	3.3688	2.8956	3.5952	1.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.131	P1	C2	H7	119.131
C2	P1	F3	125.752	C2	P1	F4	114.786
C2	P1	F5	114.786	F3	P1	F4	96.417
F3	P1	F5	96.417	F4	P1	F5	105.194
H6	C2	H7	119.983

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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 PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)