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	hartrees
Energy at 0K	-679.091635
Energy at 298.15K	-679.095606
HF Energy	-678.207605
Nuclear repulsion energy	274.623814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3079	14.31
2	A'	1413	1349	89.70
3	A'	1183	1130	244.16
4	A'	907	867	196.40
5	A'	827	790	97.01
6	A'	539	515	89.40
7	A'	486	464	74.97
8	A'	384	367	54.15
9	A'	268	256	1.46
10	A"	3333	3184	6.09
11	A"	1007	962	246.43
12	A"	822	785	1.10
13	A"	462	441	0.30
14	A"	374	357	22.31
15	A"	204	195	0.82

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.119	0.000
C2	-0.492	1.656	0.000
F3	1.461	-0.403	0.000
F4	-0.492	-0.694	1.235
F5	-0.492	-0.694	-1.235
H6	-0.514	2.195	-0.937
H7	-0.514	2.195	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6078	1.5716	1.5515	1.5515	2.3298	2.3298
C2	1.6078		2.8388	2.6545	2.6545	1.0806	1.0806
F3	1.5716	2.8388		2.3292	2.3292	3.3953	3.3953
F4	1.5515	2.6545	2.3292		2.4691	3.6135	2.9038
F5	1.5515	2.6545	2.3292	2.4691		2.9038	3.6135
H6	2.3298	1.0806	3.3953	3.6135	2.9038		1.8734
H7	2.3298	1.0806	3.3953	2.9038	3.6135	1.8734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.824	P1	C2	H7	118.824
C2	P1	F3	126.468	C2	P1	F4	114.318
C2	P1	F5	114.318	F3	P1	F4	96.452
F3	P1	F5	96.452	F4	P1	F5	105.450
H6	C2	H7	120.182

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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