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	hartrees
Energy at 0K	-679.087826
Energy at 298.15K	-679.091525
HF Energy	-678.150928
Nuclear repulsion energy	267.691144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3055
2	A'	1363	1312
3	A'	1117	1075
4	A'	849	817
5	A'	766	737
6	A'	509	489
7	A'	438	421
8	A'	316	304
9	A'	231	222
10	A"	3293	3170
11	A"	958	922
12	A"	817	786
13	A"	439	422
14	A"	342	329
15	A"	216	208

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.136	0.000
C2	-0.506	1.706	0.000
F3	1.485	-0.466	0.000
F4	-0.506	-0.698	1.271
F5	-0.506	-0.698	-1.271
H6	-0.452	2.243	-0.951
H7	-0.452	2.243	0.951

	P1	C2	F3	F4	F5	H6	H7
P1		1.6429	1.6220	1.5954	1.5954	2.3509	2.3509
C2	1.6429		2.9466	2.7189	2.7189	1.0929	1.0929
F3	1.6220	2.9466		2.3731	2.3731	3.4633	3.4633
F4	1.5954	2.7189	2.3731		2.5415	3.6855	2.9583
F5	1.5954	2.7189	2.3731	2.5415		2.9583	3.6855
H6	2.3509	1.0929	3.4633	3.6855	2.9583		1.9010
H7	2.3509	1.0929	3.4633	2.9583	3.6855	1.9010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.047	P1	C2	H7	117.047
C2	P1	F3	128.972	C2	P1	F4	114.188
C2	P1	F5	114.188	F3	P1	F4	95.049
F3	P1	F5	95.049	F4	P1	F5	105.594
H6	C2	H7	120.849

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

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

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