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	hartrees
Energy at 0K	-679.986403
Energy at 298.15K	-679.989607
HF Energy	-679.986403
Nuclear repulsion energy	253.030531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3134	22.64
2	A'	1361	1351	14.19
3	A'	1044	1036	118.56
4	A'	724	719	148.61
5	A'	647	642	57.32
6	A'	599	594	61.31
7	A'	349	346	33.14
8	A'	214	212	23.56
9	A'	168	167	1.14
10	A"	3286	3261	9.94
11	A"	936	929	93.43
12	A"	781	775	36.80
13	A"	438	435	2.51
14	A"	290	288	13.70
15	A"	198	197	1.60

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	0.153	0.000
C2	-0.512	1.759	0.000
F3	1.556	-0.542	0.000
F4	-0.512	-0.696	1.406
F5	-0.512	-0.696	-1.406
H6	-0.577	2.280	-0.951
H7	-0.577	2.280	0.951

	P1	C2	F3	F4	F5	H6	H7
P1		1.6740	1.7391	1.7097	1.7097	2.3912	2.3912
C2	1.6740		3.0935	2.8289	2.8289	1.0865	1.0865
F3	1.7391	3.0935		2.5053	2.5053	3.6631	3.6631
F4	1.7097	2.8289	2.5053		2.8126	3.7970	3.0110
F5	1.7097	2.8289	2.5053	2.8126		3.0110	3.7970
H6	2.3912	1.0865	3.6631	3.7970	3.0110		1.9023
H7	2.3912	1.0865	3.6631	3.0110	3.7970	1.9023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.490	P1	C2	H7	118.490
C2	P1	F3	130.005	C2	P1	F4	113.448
C2	P1	F5	113.448	F3	P1	F4	93.175
F3	P1	F5	93.175	F4	P1	F5	110.684
H6	C2	H7	122.191

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	P	1.164
2	C	-0.634
3	F	-0.312
4	F	-0.314
5	F	-0.314
6	H	0.205
7	H	0.205

	x	y	z	Total
	-0.517	2.414	0.000	2.469
CHELPG
AIM
ESP

	x	y	z
x	4.035	-1.020	0.000
y	-1.020	6.251	0.000
z	0.000	0.000	4.427

<r²>	128.904
(<r²>)^1/2	11.354

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

using model chemistry: BLYP/6-31G

States and conformations

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