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	hartrees
Energy at 0K	-675.212468
Energy at 298.15K	-675.216669
HF Energy	-674.720872
Nuclear repulsion energy	275.213328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3064	13.47
2	A'	1518	1418	91.83
3	A'	1272	1189	254.78
4	A'	1032	964	221.98
5	A'	906	847	46.61
6	A'	744	695	188.59
7	A'	502	469	68.65
8	A'	421	394	37.08
9	A'	295	276	0.22
10	A"	3368	3147	3.25
11	A"	1124	1050	225.59
12	A"	899	840	6.39
13	A"	469	438	3.03
14	A"	393	367	20.17
15	A"	163	152	0.16

Atom	x (Å)	y (Å)	z (Å)
P1	-0.027	0.120	0.000
C2	-0.482	1.650	0.000
F3	1.462	-0.367	0.000
F4	-0.482	-0.711	1.228
F5	-0.482	-0.711	-1.228
H6	-0.592	2.195	-0.923
H7	-0.592	2.195	0.923

	P1	C2	F3	F4	F5	H6	H7
P1		1.5961	1.5660	1.5512	1.5512	2.3403	2.3403
C2	1.5961		2.8012	2.6610	2.6610	1.0778	1.0778
F3	1.5660	2.8012		2.3247	2.3247	3.4111	3.4111
F4	1.5512	2.6610	2.3247		2.4564	3.6172	2.9236
F5	1.5512	2.6610	2.3247	2.4564		2.9236	3.6172
H6	2.3403	1.0778	3.4111	3.6172	2.9236		1.8467
H7	2.3403	1.0778	3.4111	2.9236	3.6172	1.8467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	120.918	P1	C2	H7	120.918
C2	P1	F3	124.714	C2	P1	F4	115.439
C2	P1	F5	115.439	F3	P1	F4	96.450
F3	P1	F5	96.450	F4	P1	F5	104.703
H6	C2	H7	117.886

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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