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	hartrees
Energy at 0K	-678.936551
Energy at 298.15K	-678.940492
HF Energy	-678.120381
Nuclear repulsion energy	272.827359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3066	14.38
2	A'	1434	1336	59.98
3	A'	1172	1092	251.49
4	A'	908	846	194.06
5	A'	822	765	95.66
6	A'	549	511	84.04
7	A'	476	443	63.52
8	A'	371	345	37.16
9	A'	262	244	1.30
10	A"	3405	3172	7.81
11	A"	1013	943	244.97
12	A"	843	785	0.01
13	A"	462	431	0.16
14	A"	365	340	19.12
15	A"	214	199	0.56

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.124	0.000
C2	-0.494	1.669	0.000
F3	1.467	-0.420	0.000
F4	-0.494	-0.695	1.245
F5	-0.494	-0.695	-1.245
H6	-0.510	2.203	-0.933
H7	-0.510	2.203	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6151	1.5852	1.5638	1.5638	2.3303	2.3303
C2	1.6151		2.8655	2.6714	2.6714	1.0754	1.0754
F3	1.5852	2.8655		2.3395	2.3395	3.4151	3.4151
F4	1.5638	2.6714	2.3395		2.4909	3.6252	2.9143
F5	1.5638	2.6714	2.3395	2.4909		2.9143	3.6252
H6	2.3303	1.0754	3.4151	3.6252	2.9143		1.8663
H7	2.3303	1.0754	3.4151	2.9143	3.6252	1.8663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.647	P1	C2	H7	118.647
C2	P1	F3	127.121	C2	P1	F4	114.349
C2	P1	F5	114.349	F3	P1	F4	95.964
F3	P1	F5	95.964	F4	P1	F5	105.586
H6	C2	H7	120.396

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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