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	hartrees
Energy at 0K	-678.876127
Energy at 298.15K	-678.880048
HF Energy	-678.101253
Nuclear repulsion energy	272.503869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3056	13.21
2	A'	1439	1359	70.12
3	A'	1187	1121	213.02
4	A'	923	871	180.66
5	A'	829	783	73.19
6	A'	564	533	98.05
7	A'	472	446	57.75
8	A'	368	347	43.47
9	A'	258	244	0.59
10	A"	3341	3155	4.60
11	A"	1030	973	222.97
12	A"	848	800	0.40
13	A"	461	435	0.00
14	A"	370	349	18.40
15	A"	204	193	0.69

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.492	1.668	0.000
F3	1.467	-0.421	0.000
F4	-0.492	-0.695	1.250
F5	-0.492	-0.695	-1.250
H6	-0.525	2.210	-0.937
H7	-0.525	2.210	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6136	1.5865	1.5662	1.5662	2.3408	2.3408
C2	1.6136		2.8638	2.6731	2.6731	1.0826	1.0826
F3	1.5865	2.8638		2.3398	2.3398	3.4302	3.4302
F4	1.5662	2.6731	2.3398		2.4997	3.6358	2.9215
F5	1.5662	2.6731	2.3398	2.4997		2.9215	3.6358
H6	2.3408	1.0826	3.4302	3.6358	2.9215		1.8736
H7	2.3408	1.0826	3.4302	2.9215	3.6358	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.181	P1	C2	H7	119.181
C2	P1	F3	126.994	C2	P1	F4	114.414
C2	P1	F5	114.414	F3	P1	F4	95.828
F3	P1	F5	95.828	F4	P1	F5	105.886
H6	C2	H7	119.842

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

using model chemistry: CCSD/6-31G*

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

using model chemistry: CCSD/6-31G*

States and conformations

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