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	hartrees
Energy at 0K	-678.862598
Energy at 298.15K	-678.866546
HF Energy	-678.101843
Nuclear repulsion energy	273.081522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3065	15.66
2	A'	1448	1359	76.44
3	A'	1197	1123	216.15
4	A'	930	873	185.56
5	A'	837	786	75.56
6	A'	565	530	102.03
7	A'	477	447	59.53
8	A'	374	351	44.57
9	A'	261	245	0.53
10	A"	3370	3163	6.35
11	A"	1037	973	229.81
12	A"	850	798	0.67
13	A"	464	435	0.00
14	A"	373	350	18.63
15	A"	204	191	0.71

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.491	1.666	0.000
F3	1.464	-0.418	0.000
F4	-0.491	-0.695	1.246
F5	-0.491	-0.695	-1.246
H6	-0.524	2.206	-0.935
H7	-0.524	2.206	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6106	1.5829	1.5629	1.5629	2.3367	2.3367
C2	1.6106		2.8568	2.6692	2.6692	1.0806	1.0806
F3	1.5829	2.8568		2.3345	2.3345	3.4225	3.4225
F4	1.5629	2.6692	2.3345		2.4926	3.6298	2.9180
F5	1.5629	2.6692	2.3345	2.4926		2.9180	3.6298
H6	2.3367	1.0806	3.4225	3.6298	2.9180		1.8699
H7	2.3367	1.0806	3.4225	2.9180	3.6298	1.8699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.203	P1	C2	H7	119.203
C2	P1	F3	126.906	C2	P1	F4	114.503
C2	P1	F5	114.503	F3	P1	F4	95.820
F3	P1	F5	95.820	F4	P1	F5	105.772
H6	C2	H7	119.817

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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