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	hartrees
Energy at 0K	-679.089280
Energy at 298.15K	-679.092972
HF Energy	-678.150733
Nuclear repulsion energy	267.559992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3173	3102
2	A'	1362	1332
3	A'	1115	1090
4	A'	846	828
5	A'	763	746
6	A'	508	497
7	A'	437	427
8	A'	314	307
9	A'	230	225
10	A"	3292	3219
11	A"	956	935
12	A"	816	798
13	A"	438	428
14	A"	341	333
15	A"	216	211

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.136	0.000
C2	-0.506	1.706	0.000
F3	1.486	-0.467	0.000
F4	-0.506	-0.698	1.271
F5	-0.506	-0.698	-1.271
H6	-0.451	2.243	-0.950
H7	-0.451	2.243	0.950

	P1	C2	F3	F4	F5	H6	H7
P1		1.6434	1.6231	1.5962	1.5962	2.3510	2.3510
C2	1.6434		2.9485	2.7197	2.7197	1.0930	1.0930
F3	1.6231	2.9485		2.3745	2.3745	3.4642	3.4642
F4	1.5962	2.7197	2.3745		2.5429	3.6864	2.9590
F5	1.5962	2.7197	2.3745	2.5429		2.9590	3.6864
H6	2.3510	1.0930	3.4642	3.6864	2.9590		1.9010
H7	2.3510	1.0930	3.4642	2.9590	3.6864	1.9010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.014	P1	C2	H7	117.014
C2	P1	F3	129.011	C2	P1	F4	114.166
C2	P1	F5	114.166	F3	P1	F4	95.049
F3	P1	F5	95.049	F4	P1	F5	105.601
H6	C2	H7	120.829

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

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

States and conformations

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