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	hartrees
Energy at 0K	-679.085714
Energy at 298.15K	-679.089656
HF Energy	-678.202391
Nuclear repulsion energy	273.927500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3057	12.26
2	A'	1424	1363	85.04
3	A'	1179	1129	237.59
4	A'	895	857	190.26
5	A'	815	780	100.79
6	A'	544	521	100.05
7	A'	481	461	70.44
8	A'	375	359	54.24
9	A'	264	252	1.56
10	A"	3298	3157	4.89
11	A"	1003	960	245.47
12	A"	844	808	0.00
13	A"	461	442	0.17
14	A"	375	359	21.11
15	A"	205	197	1.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.020	0.121	0.000
C2	-0.493	1.660	0.000
F3	1.464	-0.411	0.000
F4	-0.493	-0.693	1.239
F5	-0.493	-0.693	-1.239
H6	-0.520	2.205	-0.935
H7	-0.520	2.205	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6101	1.5767	1.5557	1.5557	2.3381	2.3381
C2	1.6101		2.8490	2.6591	2.6591	1.0826	1.0826
F3	1.5767	2.8490		2.3333	2.3333	3.4131	3.4131
F4	1.5557	2.6591	2.3333		2.4773	3.6227	2.9138
F5	1.5557	2.6591	2.3333	2.4773		2.9138	3.6227
H6	2.3381	1.0826	3.4131	3.6227	2.9138		1.8704
H7	2.3381	1.0826	3.4131	2.9138	3.6227	1.8704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.226	P1	C2	H7	119.226
C2	P1	F3	126.764	C2	P1	F4	114.266
C2	P1	F5	114.266	F3	P1	F4	96.298
F3	P1	F5	96.298	F4	P1	F5	105.542
H6	C2	H7	119.494

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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