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	hartrees
Energy at 0K	-678.347054
Energy at 298.15K	-678.350743
HF Energy	-677.868622
Nuclear repulsion energy	258.932290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3102	26.99
2	A'	1471	1380	23.22
3	A'	1136	1066	192.82
4	A'	834	782	209.73
5	A'	746	700	70.40
6	A'	697	653	84.84
7	A'	404	379	61.65
8	A'	290	272	42.17
9	A'	198	185	0.60
10	A"	3437	3223	16.05
11	A"	1031	967	141.24
12	A"	879	824	36.91
13	A"	458	430	1.67
14	A"	332	311	30.45
15	A"	206	194	1.07

Atom	x (Å)	y (Å)	z (Å)
P1	-0.031	0.154	0.000
C2	-0.505	1.736	0.000
F3	1.527	-0.502	0.000
F4	-0.505	-0.707	1.347
F5	-0.505	-0.707	-1.347
H6	-0.582	2.254	-0.941
H7	-0.582	2.254	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6515	1.6904	1.6677	1.6677	2.3661	2.3661
C2	1.6515		3.0229	2.7900	2.7900	1.0771	1.0771
F3	1.6904	3.0229		2.4461	2.4461	3.5957	3.5957
F4	1.6677	2.7900	2.4461		2.6947	3.7430	2.9895
F5	1.6677	2.7900	2.4461	2.6947		2.9895	3.7430
H6	2.3661	1.0771	3.5957	3.7430	2.9895		1.8827
H7	2.3661	1.0771	3.5957	2.9895	3.7430	1.8827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.747	P1	C2	H7	118.747
C2	P1	F3	129.527	C2	P1	F4	114.402
C2	P1	F5	114.402	F3	P1	F4	93.509
F3	P1	F5	93.509	F4	P1	F5	107.785
H6	C2	H7	121.855

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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