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	hartrees
Energy at 0K	-675.032004
Energy at 298.15K	-675.035905
HF Energy	-674.502318
Nuclear repulsion energy	265.311773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3131	22.42
2	A'	1489	1422	36.57
3	A'	1192	1138	196.43
4	A'	941	899	172.96
5	A'	806	770	33.77
6	A'	686	655	188.12
7	A'	438	418	62.97
8	A'	352	336	50.76
9	A'	249	238	0.23
10	A"	3391	3238	11.33
11	A"	1064	1016	157.92
12	A"	919	878	0.56
13	A"	444	424	0.00
14	A"	354	338	31.06
15	A"	171	163	0.58

Atom	x (Å)	y (Å)	z (Å)
P1	-0.032	0.138	0.000
C2	-0.494	1.713	0.000
F3	1.502	-0.420	0.000
F4	-0.494	-0.724	1.290
F5	-0.494	-0.724	-1.290
H6	-0.589	2.238	-0.936
H7	-0.589	2.238	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6408	1.6328	1.6188	1.6188	2.3655	2.3655
C2	1.6408		2.9213	2.7574	2.7574	1.0773	1.0773
F3	1.6328	2.9213		2.3957	2.3957	3.5092	3.5092
F4	1.6188	2.7574	2.3957		2.5795	3.7066	2.9853
F5	1.6188	2.7574	2.3957	2.5795		2.9853	3.7066
H6	2.3655	1.0773	3.5092	3.7066	2.9853		1.8713
H7	2.3655	1.0773	3.5092	2.9853	3.7066	1.8713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.529	P1	C2	H7	119.529
C2	P1	F3	126.344	C2	P1	F4	115.539
C2	P1	F5	115.539	F3	P1	F4	94.912
F3	P1	F5	94.912	F4	P1	F5	105.637
H6	C2	H7	120.568

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

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

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