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	hartrees
Energy at 0K	-678.914331
Energy at 298.15K	-678.918246
HF Energy	-678.119614
Nuclear repulsion energy	272.042827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3082	13.38
2	A'	1431	1348	55.66
3	A'	1165	1098	249.66
4	A'	893	842	191.41
5	A'	812	765	100.47
6	A'	551	519	81.39
7	A'	472	445	62.31
8	A'	366	345	36.12
9	A'	258	243	1.38
10	A"	3386	3190	7.01
11	A"	1001	943	243.14
12	A"	842	794	0.40
13	A"	461	434	0.14
14	A"	364	343	19.24
15	A"	213	201	0.54

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.125	0.000
C2	-0.495	1.672	0.000
F3	1.471	-0.425	0.000
F4	-0.495	-0.695	1.251
F5	-0.495	-0.695	-1.251
H6	-0.515	2.207	-0.935
H7	-0.515	2.207	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6177	1.5907	1.5687	1.5687	2.3349	2.3349
C2	1.6177		2.8746	2.6769	2.6769	1.0775	1.0775
F3	1.5907	2.8746		2.3459	2.3459	3.4274	3.4274
F4	1.5687	2.6769	2.3459		2.5012	3.6328	2.9188
F5	1.5687	2.6769	2.3459	2.5012		2.9188	3.6328
H6	2.3349	1.0775	3.4274	3.6328	2.9188		1.8703
H7	2.3349	1.0775	3.4274	2.9188	3.6328	1.8703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.695	P1	C2	H7	118.695
C2	P1	F3	127.260	C2	P1	F4	114.292
C2	P1	F5	114.292	F3	P1	F4	95.886
F3	P1	F5	95.886	F4	P1	F5	105.732
H6	C2	H7	120.428

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

using model chemistry: CCD/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: CCD/6-31+G**

States and conformations

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