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	hartrees
Energy at 0K	-678.956992
Energy at 298.15K	-678.960822
HF Energy	-678.111588
Nuclear repulsion energy	269.955991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3056	14.58
2	A'	1390	1307	82.02
3	A'	1173	1103	204.45
4	A'	899	845	182.06
5	A'	814	765	80.81
6	A'	512	481	59.57
7	A'	460	433	70.71
8	A'	351	330	64.42
9	A'	252	237	1.42
10	A"	3367	3166	9.65
11	A"	1001	942	215.99
12	A"	815	767	0.55
13	A"	452	425	0.01
14	A"	357	335	22.96
15	A"	200	189	1.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.131	0.000
C2	-0.500	1.683	0.000
F3	1.481	-0.431	0.000
F4	-0.500	-0.701	1.259
F5	-0.500	-0.701	-1.259
H6	-0.492	2.221	-0.947
H7	-0.492	2.221	0.947

	P1	C2	F3	F4	F5	H6	H7
P1		1.6225	1.6062	1.5830	1.5830	2.3418	2.3418
C2	1.6225		2.8966	2.6961	2.6961	1.0892	1.0892
F3	1.6062	2.8966		2.3624	2.3624	3.4390	3.4390
F4	1.5830	2.6961	2.3624		2.5185	3.6618	2.9396
F5	1.5830	2.6961	2.3624	2.5185		2.9396	3.6618
H6	2.3418	1.0892	3.4390	3.6618	2.9396		1.8930
H7	2.3418	1.0892	3.4390	2.9396	3.6618	1.8930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.105	P1	C2	H7	118.105
C2	P1	F3	127.570	C2	P1	F4	114.504
C2	P1	F5	114.504	F3	P1	F4	95.585
F3	P1	F5	95.585	F4	P1	F5	105.398
H6	C2	H7	120.684

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

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

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