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	hartrees
Energy at 0K	-679.811758
Energy at 298.15K	-679.815627
HF Energy	-679.550839
Nuclear repulsion energy	272.466249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3248	14.96
2	A'	1415	1415	63.02
3	A'	1168	1168	206.56
4	A'	911	911	170.92
5	A'	813	813	68.23
6	A'	548	548	87.29
7	A'	464	464	52.26
8	A'	360	360	40.71
9	A'	255	255	0.50
10	A"	3357	3357	5.88
11	A"	1015	1015	208.20
12	A"	827	827	0.71
13	A"	451	451	0.01
14	A"	362	362	15.99
15	A"	203	203	0.89

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.122	0.000
C2	-0.493	1.667	0.000
F3	1.470	-0.414	0.000
F4	-0.493	-0.696	1.250
F5	-0.493	-0.696	-1.250
H6	-0.517	2.205	-0.934
H7	-0.517	2.205	0.934

	P1	C2	F3	F4	F5	H6	H7
P1		1.6146	1.5873	1.5660	1.5660	2.3350	2.3350
C2	1.6146		2.8611	2.6733	2.6733	1.0779	1.0779
F3	1.5873	2.8611		2.3444	2.3444	3.4176	3.4176
F4	1.5660	2.6733	2.3444		2.5001	3.6310	2.9179
F5	1.5660	2.6733	2.3444	2.5001		2.9179	3.6310
H6	2.3350	1.0779	3.4176	3.6310	2.9179		1.8679
H7	2.3350	1.0779	3.4176	2.9179	3.6310	1.8679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.927	P1	C2	H7	118.927
C2	P1	F3	126.654	C2	P1	F4	114.378
C2	P1	F5	114.378	F3	P1	F4	96.057
F3	P1	F5	96.057	F4	P1	F5	105.927
H6	C2	H7	120.094

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

using model chemistry: B2PLYP=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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