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	hartrees
Energy at 0K	-678.968618
Energy at 298.15K	-678.972424
HF Energy	-678.111033
Nuclear repulsion energy	269.327027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3227	12.72
2	A'	1386	1386	73.87
3	A'	1164	1164	203.33
4	A'	890	890	177.12
5	A'	805	805	78.77
6	A'	514	514	59.79
7	A'	456	456	67.36
8	A'	344	344	60.77
9	A'	249	249	1.63
10	A"	3345	3345	8.01
11	A"	994	994	209.80
12	A"	814	814	0.23
13	A"	451	451	0.01
14	A"	355	355	22.59
15	A"	201	201	0.97

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.132	0.000
C2	-0.501	1.685	0.000
F3	1.485	-0.435	0.000
F4	-0.501	-0.701	1.263
F5	-0.501	-0.701	-1.263
H6	-0.495	2.225	-0.948
H7	-0.495	2.225	0.948

	P1	C2	F3	F4	F5	H6	H7
P1		1.6250	1.6105	1.5870	1.5870	2.3453	2.3453
C2	1.6250		2.9046	2.6998	2.6998	1.0906	1.0906
F3	1.6105	2.9046		2.3686	2.3686	3.4480	3.4480
F4	1.5870	2.6998	2.3686		2.5268	3.6672	2.9426
F5	1.5870	2.6998	2.3686	2.5268		2.9426	3.6672
H6	2.3453	1.0906	3.4480	3.6672	2.9426		1.8954
H7	2.3453	1.0906	3.4480	2.9426	3.6672	1.8954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.113	P1	C2	H7	118.113
C2	P1	F3	127.719	C2	P1	F4	114.386
C2	P1	F5	114.386	F3	P1	F4	95.588
F3	P1	F5	95.588	F4	P1	F5	105.519
H6	C2	H7	120.675

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

using model chemistry: CCSD=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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