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	hartrees
Energy at 0K	-678.896047
Energy at 298.15K	-678.899973
HF Energy	-678.105542
Nuclear repulsion energy	272.421713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3085	11.92
2	A'	1444	1359	58.69
3	A'	1184	1114	216.93
4	A'	920	866	177.07
5	A'	825	777	70.89
6	A'	561	528	87.48
7	A'	470	442	56.92
8	A'	366	344	42.45
9	A'	257	242	0.63
10	A"	3388	3190	3.57
11	A"	1026	966	216.45
12	A"	842	793	0.31
13	A"	461	434	0.01
14	A"	368	347	19.20
15	A"	206	194	0.54

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.493	1.668	0.000
F3	1.468	-0.421	0.000
F4	-0.493	-0.694	1.251
F5	-0.493	-0.694	-1.251
H6	-0.519	2.205	-0.933
H7	-0.519	2.205	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6141	1.5875	1.5671	1.5671	2.3335	2.3335
C2	1.6141		2.8655	2.6729	2.6729	1.0765	1.0765
F3	1.5875	2.8655		2.3427	2.3427	3.4221	3.4221
F4	1.5671	2.6729	2.3427		2.5018	3.6294	2.9164
F5	1.5671	2.6729	2.3427	2.5018		2.9164	3.6294
H6	2.3335	1.0765	3.4221	3.6294	2.9164		1.8657
H7	2.3335	1.0765	3.4221	2.9164	3.6294	1.8657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.930	P1	C2	H7	118.930
C2	P1	F3	127.019	C2	P1	F4	114.323
C2	P1	F5	114.323	F3	P1	F4	95.908
F3	P1	F5	95.908	F4	P1	F5	105.925
H6	C2	H7	120.119

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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