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	hartrees
Energy at 0K	-675.030127
Energy at 298.15K	-675.034008
HF Energy	-674.502286
Nuclear repulsion energy	265.315025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3132	16.54
2	A'	1468	1422	33.17
3	A'	1177	1141	197.01
4	A'	944	915	161.71
5	A'	804	780	29.80
6	A'	676	655	178.86
7	A'	438	425	65.09
8	A'	339	329	54.25
9	A'	246	239	0.33
10	A"	3341	3238	7.31
11	A"	1065	1032	151.25
12	A"	918	890	0.25
13	A"	444	430	0.00
14	A"	352	341	32.93
15	A"	176	170	0.61

Atom	x (Å)	y (Å)	z (Å)
P1	-0.030	0.139	0.000
C2	-0.495	1.717	0.000
F3	1.499	-0.429	0.000
F4	-0.495	-0.723	1.288
F5	-0.495	-0.723	-1.288
H6	-0.585	2.245	-0.938
H7	-0.585	2.245	0.938

	P1	C2	F3	F4	F5	H6	H7
P1		1.6455	1.6312	1.6178	1.6178	2.3717	2.3717
C2	1.6455		2.9291	2.7593	2.7593	1.0805	1.0805
F3	1.6312	2.9291		2.3920	2.3920	3.5175	3.5175
F4	1.6178	2.7593	2.3920		2.5761	3.7113	2.9898
F5	1.6178	2.7593	2.3920	2.5761		2.9898	3.7113
H6	2.3717	1.0805	3.5175	3.7113	2.9898		1.8770
H7	2.3717	1.0805	3.5175	2.9898	3.7113	1.8770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.486	P1	C2	H7	119.486
C2	P1	F3	126.741	C2	P1	F4	115.462
C2	P1	F5	115.462	F3	P1	F4	94.819
F3	P1	F5	94.819	F4	P1	F5	105.533
H6	C2	H7	120.588

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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