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	hartrees
Energy at 0K	-679.835386
Energy at 298.15K	-679.839101
HF Energy	-679.562037
Nuclear repulsion energy	268.608334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3078	15.12
2	A'	1361	1304	68.98
3	A'	1145	1097	193.72
4	A'	868	832	166.13
5	A'	782	750	80.61
6	A'	501	480	56.41
7	A'	443	425	59.16
8	A'	328	314	55.84
9	A'	242	232	1.26
10	A"	3332	3194	10.59
11	A"	975	934	198.88
12	A"	809	775	0.01
13	A"	441	422	0.10
14	A"	346	331	19.34
15	A"	200	191	1.47

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.134	0.000
C2	-0.503	1.687	0.000
F3	1.489	-0.439	0.000
F4	-0.503	-0.701	1.268
F5	-0.503	-0.701	-1.268
H6	-0.486	2.224	-0.946
H7	-0.486	2.224	0.946

	P1	C2	F3	F4	F5	H6	H7
P1		1.6254	1.6179	1.5922	1.5922	2.3408	2.3408
C2	1.6254		2.9136	2.7038	2.7038	1.0884	1.0884
F3	1.6179	2.9136		2.3762	2.3762	3.4484	3.4484
F4	1.5922	2.7038	2.3762		2.5363	3.6690	2.9429
F5	1.5922	2.7038	2.3762	2.5363		2.9429	3.6690
H6	2.3408	1.0884	3.4484	3.6690	2.9429		1.8928
H7	2.3408	1.0884	3.4484	2.9429	3.6690	1.8928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.849	P1	C2	H7	117.849
C2	P1	F3	127.885	C2	P1	F4	114.348
C2	P1	F5	114.348	F3	P1	F4	95.503
F3	P1	F5	95.503	F4	P1	F5	105.594
H6	C2	H7	120.812

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

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