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	hartrees
Energy at 0K	-678.926982
Energy at 298.15K	-678.930854
HF Energy	-678.118829
Nuclear repulsion energy	271.368314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3081	12.07
2	A'	1425	1347	49.58
3	A'	1154	1091	242.96
4	A'	881	833	186.80
5	A'	799	755	99.68
6	A'	546	516	77.67
7	A'	465	440	59.85
8	A'	356	337	35.59
9	A'	253	239	1.44
10	A"	3374	3190	6.38
11	A"	991	937	235.97
12	A"	840	794	1.16
13	A"	457	432	0.06
14	A"	359	340	19.04
15	A"	213	201	0.64

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.126	0.000
C2	-0.497	1.676	0.000
F3	1.475	-0.428	0.000
F4	-0.497	-0.695	1.254
F5	-0.497	-0.695	-1.254
H6	-0.511	2.211	-0.936
H7	-0.511	2.211	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6209	1.5955	1.5728	1.5728	2.3371	2.3371
C2	1.6209		2.8836	2.6819	2.6819	1.0782	1.0782
F3	1.5955	2.8836		2.3521	2.3521	3.4331	3.4331
F4	1.5728	2.6819	2.3521		2.5086	3.6388	2.9233
F5	1.5728	2.6819	2.3521	2.5086		2.9233	3.6388
H6	2.3371	1.0782	3.4331	3.6388	2.9233		1.8716
H7	2.3371	1.0782	3.4331	2.9233	3.6388	1.8716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.587	P1	C2	H7	118.587
C2	P1	F3	127.409	C2	P1	F4	114.216
C2	P1	F5	114.216	F3	P1	F4	95.869
F3	P1	F5	95.869	F4	P1	F5	105.784
H6	C2	H7	120.437

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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