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	hartrees
Energy at 0K	-680.184312
Energy at 298.15K	-680.187828
HF Energy	-680.184312
Nuclear repulsion energy	266.907021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3100	12.98
2	A'	1330	1323	41.21
3	A'	1078	1072	211.01
4	A'	794	790	160.11
5	A'	715	712	117.82
6	A'	500	497	60.18
7	A'	427	425	44.80
8	A'	295	293	33.28
9	A'	226	225	1.51
10	A"	3224	3207	7.79
11	A"	914	909	206.50
12	A"	787	783	8.51
13	A"	427	424	0.10
14	A"	330	328	13.86
15	A"	201	200	2.21

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.131	0.000
C2	-0.507	1.697	0.000
F3	1.500	-0.449	0.000
F4	-0.507	-0.699	1.280
F5	-0.507	-0.699	-1.280
H6	-0.498	2.238	-0.945
H7	-0.498	2.238	0.945

	P1	C2	F3	F4	F5	H6	H7
P1		1.6387	1.6299	1.6001	1.6001	2.3582	2.3582
C2	1.6387		2.9378	2.7160	2.7160	1.0894	1.0894
F3	1.6299	2.9378		2.3932	2.3932	3.4800	3.4800
F4	1.6001	2.7160	2.3932		2.5597	3.6849	2.9564
F5	1.6001	2.7160	2.3932	2.5597		2.9564	3.6849
H6	2.3582	1.0894	3.4800	3.6849	2.9564		1.8902
H7	2.3582	1.0894	3.4800	2.9564	3.6849	1.8902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.232	P1	C2	H7	118.232
C2	P1	F3	128.002	C2	P1	F4	113.976
C2	P1	F5	113.976	F3	P1	F4	95.616
F3	P1	F5	95.616	F4	P1	F5	106.234
H6	C2	H7	120.339

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	P	1.446
2	C	-0.617
3	F	-0.359
4	F	-0.413
5	F	-0.413
6	H	0.178
7	H	0.178

	x	y	z	Total
	-0.052	1.064	0.000	1.065
CHELPG
AIM
ESP

	x	y	z
x	5.657	-0.753	0.000
y	-0.753	6.869	0.000
z	0.000	0.000	4.977

<r²>	118.409
(<r²>)^1/2	10.882

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

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

States and conformations

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