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	hartrees
Energy at 0K	-674.087544
Energy at 298.15K	-674.091231
HF Energy	-674.087544
Nuclear repulsion energy	265.177322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3121	35.95
2	A'	1371	1347	66.84
3	A'	1175	1154	140.65
4	A'	906	890	148.36
5	A'	776	762	25.36
6	A'	676	664	191.51
7	A'	398	391	39.06
8	A'	330	324	25.53
9	A'	225	221	0.29
10	A"	3288	3228	18.75
11	A"	1016	998	134.25
12	A"	851	836	2.45
13	A"	422	414	0.04
14	A"	327	321	14.95
15	A"	162	159	0.61

Atom	x (Å)	y (Å)	z (Å)
P1	-0.037	0.138	0.000
C2	-0.488	1.707	0.000
F3	1.496	-0.432	0.000
F4	-0.488	-0.717	1.301
F5	-0.488	-0.717	-1.301
H6	-0.594	2.237	-0.943
H7	-0.594	2.237	0.943

	P1	C2	F3	F4	F5	H6	H7
P1		1.6318	1.6361	1.6213	1.6213	2.3675	2.3675
C2	1.6318		2.9174	2.7509	2.7509	1.0873	1.0873
F3	1.6361	2.9174		2.3902	2.3902	3.5189	3.5189
F4	1.6213	2.7509	2.3902		2.6029	3.7116	2.9777
F5	1.6213	2.7509	2.3902	2.6029		2.9777	3.7116
H6	2.3675	1.0873	3.5189	3.7116	2.9777		1.8861
H7	2.3675	1.0873	3.5189	2.9777	3.7116	1.8861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.732	P1	C2	H7	119.732
C2	P1	F3	126.436	C2	P1	F4	115.474
C2	P1	F5	115.474	F3	P1	F4	94.409
F3	P1	F5	94.409	F4	P1	F5	106.784
H6	C2	H7	120.309

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

using model chemistry: SVWN/3-21G

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	1.352
2	C	-1.064
3	F	-0.282
4	F	-0.281
5	F	-0.281
6	H	0.279
7	H	0.279

	x	y	z	Total
	-0.224	1.180	0.000	1.201
CHELPG
AIM
ESP

	x	y	z
x	3.071	-0.809	0.000
y	-0.809	5.336	0.000
z	0.000	0.000	3.630

<r²>	119.095
(<r²>)^1/2	10.913

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

using model chemistry: SVWN/3-21G

States and conformations

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