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	hartrees
Energy at 0K	-678.155850
Energy at 298.15K	-678.159918
HF Energy	-678.155850
Nuclear repulsion energy	273.990355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3032	11.77
2	A'	1482	1350	61.35
3	A'	1192	1086	295.04
4	A'	942	858	190.37
5	A'	859	782	81.63
6	A'	570	519	91.81
7	A'	486	442	67.39
8	A'	390	355	39.20
9	A'	268	244	1.08
10	A"	3448	3140	4.92
11	A"	1044	951	231.00
12	A"	877	798	0.02
13	A"	463	421	0.36
14	A"	382	348	21.56
15	A"	211	192	0.57

Atom	x (Å)	y (Å)	z (Å)
P1	-0.026	0.127	0.000
C2	-0.488	1.676	0.000
F3	1.455	-0.415	0.000
F4	-0.488	-0.702	1.233
F5	-0.488	-0.702	-1.233
H6	-0.502	2.205	-0.938
H7	-0.502	2.205	0.938

	P1	C2	F3	F4	F5	H6	H7
P1		1.6170	1.5764	1.5557	1.5557	2.3298	2.3298
C2	1.6170		2.8541	2.6788	2.6788	1.0771	1.0771
F3	1.5764	2.8541		2.3187	2.3187	3.4022	3.4022
F4	1.5557	2.6788	2.3187		2.4657	3.6285	2.9223
F5	1.5557	2.6788	2.3187	2.4657		2.9223	3.6285
H6	2.3298	1.0771	3.4022	3.6285	2.9223		1.8762
H7	2.3298	1.0771	3.4022	2.9223	3.6285	1.8762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.332	P1	C2	H7	118.332
C2	P1	F3	126.691	C2	P1	F4	115.185
C2	P1	F5	115.185	F3	P1	F4	95.514
F3	P1	F5	95.514	F4	P1	F5	104.835
H6	C2	H7	121.132

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

using model chemistry: HF/aug-cc-pVDZ

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	2.663
2	C	0.022
3	F	-0.703
4	F	-0.716
5	F	-0.716
6	H	-0.275
7	H	-0.275

	x	y	z	Total
	0.064	0.654	0.000	0.657
CHELPG
AIM
ESP

	x	y	z
x	5.129	-0.479	0.000
y	-0.479	5.910	0.000
z	0.000	0.000	4.603

<r²>	113.566
(<r²>)^1/2	10.657

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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