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	hartrees
Energy at 0K	-679.147974
Energy at 298.15K	-679.151907
HF Energy	-678.149723
Nuclear repulsion energy	276.541383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3066	15.05
2	A'	1405	1328	75.04
3	A'	1180	1116	196.66
4	A'	930	880	154.11
5	A'	841	795	58.05
6	A'	518	490	54.69
7	A'	485	459	63.50
8	A'	384	363	47.27
9	A'	273	258	0.88
10	A"	3353	3171	6.20
11	A"	1027	971	190.54
12	A"	811	767	2.37
13	A"	458	433	0.40
14	A"	370	350	13.96
15	A"	191	180	0.59

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.116	0.000
C2	-0.485	1.655	0.000
F3	1.447	-0.394	0.000
F4	-0.485	-0.694	1.224
F5	-0.485	-0.694	-1.224
H6	-0.513	2.191	-0.935
H7	-0.513	2.191	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6070	1.5564	1.5385	1.5385	2.3287	2.3287
C2	1.6070		2.8167	2.6489	2.6489	1.0784	1.0784
F3	1.5564	2.8167		2.3068	2.3068	3.3769	3.3769
F4	1.5385	2.6489	2.3068		2.4472	3.6040	2.9003
F5	1.5385	2.6489	2.3068	2.4472		2.9003	3.6040
H6	2.3287	1.0784	3.3769	3.6040	2.9003		1.8701
H7	2.3287	1.0784	3.3769	2.9003	3.6040	1.8701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.943	P1	C2	H7	118.943
C2	P1	F3	125.836	C2	P1	F4	114.713
C2	P1	F5	114.713	F3	P1	F4	96.376
F3	P1	F5	96.376	F4	P1	F5	105.374
H6	C2	H7	120.244

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

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

States and conformations

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