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	hartrees
Energy at 0K	-679.111407
Energy at 298.15K	-679.115104
HF Energy	-678.151523
Nuclear repulsion energy	268.075013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3180	3085
2	A'	1362	1322
3	A'	1123	1090
4	A'	856	830
5	A'	770	747
6	A'	504	489
7	A'	438	425
8	A'	316	306
9	A'	233	226
10	A"	3299	3201
11	A"	962	933
12	A"	810	786
13	A"	438	425
14	A"	342	331
15	A"	213	206

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.135	0.000
C2	-0.505	1.703	0.000
F3	1.484	-0.460	0.000
F4	-0.505	-0.699	1.269
F5	-0.505	-0.699	-1.269
H6	-0.459	2.239	-0.950
H7	-0.459	2.239	0.950

	P1	C2	F3	F4	F5	H6	H7
P1		1.6402	1.6190	1.5932	1.5932	2.3495	2.3495
C2	1.6402		2.9376	2.7160	2.7160	1.0919	1.0919
F3	1.6190	2.9376		2.3709	2.3709	3.4582	3.4582
F4	1.5932	2.7160	2.3709		2.5378	3.6818	2.9555
F5	1.5932	2.7160	2.3709	2.5378		2.9555	3.6818
H6	2.3495	1.0919	3.4582	3.6818	2.9555		1.8997
H7	2.3495	1.0919	3.4582	2.9555	3.6818	1.8997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.208	P1	C2	H7	117.208
C2	P1	F3	128.669	C2	P1	F4	114.267
C2	P1	F5	114.267	F3	P1	F4	95.137
F3	P1	F5	95.137	F4	P1	F5	105.585
H6	C2	H7	120.903

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

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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