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	hartrees
Energy at 0K	-675.284460
Energy at 298.15K	-675.288590
HF Energy	-674.719780
Nuclear repulsion energy	273.801276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3073	14.82
2	A'	1498	1420	78.26
3	A'	1252	1187	230.44
4	A'	1007	955	200.43
5	A'	880	834	47.56
6	A'	706	669	175.80
7	A'	491	465	62.50
8	A'	408	387	35.46
9	A'	289	274	0.22
10	A"	3335	3161	3.86
11	A"	1102	1044	209.31
12	A"	883	837	5.45
13	A"	464	440	1.90
14	A"	384	364	17.92
15	A"	168	159	0.28

Atom	x (Å)	y (Å)	z (Å)
P1	-0.027	0.120	0.000
C2	-0.485	1.655	0.000
F3	1.470	-0.372	0.000
F4	-0.485	-0.711	1.237
F5	-0.485	-0.711	-1.237
H6	-0.587	2.203	-0.927
H7	-0.587	2.203	0.927

	P1	C2	F3	F4	F5	H6	H7
P1		1.6020	1.5753	1.5596	1.5596	2.3472	2.3472
C2	1.6020		2.8163	2.6702	2.6702	1.0811	1.0811
F3	1.5753	2.8163		2.3384	2.3384	3.4233	3.4233
F4	1.5596	2.6702	2.3384		2.4746	3.6308	2.9320
F5	1.5596	2.6702	2.3384	2.4746		2.9320	3.6308
H6	2.3472	1.0811	3.4233	3.6308	2.9320		1.8532
H7	2.3472	1.0811	3.4233	2.9320	3.6308	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	120.811	P1	C2	H7	120.811
C2	P1	F3	124.843	C2	P1	F4	115.248
C2	P1	F5	115.248	F3	P1	F4	96.476
F3	P1	F5	96.476	F4	P1	F5	104.999
H6	C2	H7	117.991

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

using model chemistry: MP2=FULL/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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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: MP2=FULL/3-21G*

States and conformations

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