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	hartrees
Energy at 0K	-679.411341
Energy at 298.15K	-679.415258
HF Energy	-678.300137
Nuclear repulsion energy	275.475169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3086	12.61
2	A'	1394	1341	65.45
3	A'	1156	1113	244.29
4	A'	911	877	161.84
5	A'	832	801	72.66
6	A'	513	494	51.89
7	A'	478	460	69.44
8	A'	374	360	42.14
9	A'	267	257	0.95
10	A"	3314	3190	5.45
11	A"	1009	971	203.10
12	A"	817	786	0.34
13	A"	455	438	0.96
14	A"	365	351	14.77
15	A"	199	192	0.45

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.116	0.000
C2	-0.489	1.663	0.000
F3	1.453	-0.398	0.000
F4	-0.489	-0.696	1.228
F5	-0.489	-0.696	-1.228
H6	-0.502	2.197	-0.936
H7	-0.502	2.197	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6158	1.5637	1.5437	1.5437	2.3313	2.3313
C2	1.6158		2.8320	2.6597	2.6597	1.0776	1.0776
F3	1.5637	2.8320		2.3168	2.3168	3.3811	3.3811
F4	1.5437	2.6597	2.3168		2.4551	3.6126	2.9074
F5	1.5437	2.6597	2.3168	2.4551		2.9074	3.6126
H6	2.3313	1.0776	3.3811	3.6126	2.9074		1.8726
H7	2.3313	1.0776	3.3811	2.9074	3.6126	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.519	P1	C2	H7	118.519
C2	P1	F3	125.924	C2	P1	F4	114.646
C2	P1	F5	114.646	F3	P1	F4	96.417
F3	P1	F5	96.417	F4	P1	F5	105.350
H6	C2	H7	120.653

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

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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