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	hartrees
Energy at 0K	-676.324816
Energy at 298.15K
HF Energy	-676.136673
Nuclear repulsion energy	273.726555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3229	13.33
2	A'	1468	1468	79.86
3	A'	1233	1233	217.74
4	A'	993	993	189.63
5	A'	863	863	44.44
6	A'	699	699	171.32
7	A'	478	478	55.50
8	A'	395	395	32.36
9	A'	279	279	0.21
10	A"	3319	3319	3.75
11	A"	1086	1086	196.16
12	A"	866	866	5.92
13	A"	453	453	1.48
14	A"	375	375	15.99
15	A"	165	165	0.28

Atom	x (Å)	y (Å)	z (Å)
P1	-0.027	0.120	0.000
C2	-0.485	1.657	0.000
F3	1.469	-0.375	0.000
F4	-0.485	-0.710	1.239
F5	-0.485	-0.710	-1.239
H6	-0.587	2.203	-0.926
H7	-0.587	2.203	0.926

	P1	C2	F3	F4	F5	H6	H7
P1		1.6031	1.5759	1.5599	1.5599	2.3467	2.3467
C2	1.6031		2.8192	2.6708	2.6708	1.0797	1.0797
F3	1.5759	2.8192		2.3378	2.3378	3.4251	3.4251
F4	1.5599	2.6708	2.3378		2.4774	3.6300	2.9307
F5	1.5599	2.6708	2.3378	2.4774		2.9307	3.6300
H6	2.3467	1.0797	3.4251	3.6300	2.9307		1.8518
H7	2.3467	1.0797	3.4251	2.9307	3.6300	1.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	120.769	P1	C2	H7	120.769
C2	P1	F3	124.947	C2	P1	F4	115.204
C2	P1	F5	115.204	F3	P1	F4	96.405
F3	P1	F5	96.405	F4	P1	F5	105.138
H6	C2	H7	118.083

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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