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	hartrees
Energy at 0K	-678.874920
Energy at 298.15K	-678.879022
HF Energy	-678.070996
Nuclear repulsion energy	250.284018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2490	2354	42.88
2	A'	1216	1149	204.10
3	A'	1185	1121	271.90
4	A'	1129	1067	21.32
5	A'	858	811	57.63
6	A'	741	701	1.84
7	A'	513	485	2.31
8	A'	423	400	19.31
9	A'	282	267	0.53
10	A"	2501	2364	53.23
11	A"	1189	1124	208.73
12	A"	869	822	51.89
13	A"	514	486	3.47
14	A"	272	257	1.36
15	A"	180	171	2.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.370	-0.009	0.000
P2	-1.511	-0.099	0.000
F3	0.877	1.250	0.000
F4	0.877	-0.633	1.094
F5	0.877	-0.633	-1.094
H6	-1.625	0.844	-1.041
H7	-1.625	0.844	1.041

	C1	P2	F3	F4	F5	H6	H7
C1		1.8826	1.3575	1.3581	1.3581	2.4058	2.4058
P2	1.8826		2.7429	2.6804	2.6804	1.4091	1.4091
F3	1.3575	2.7429		2.1783	2.1783	2.7403	2.7403
F4	1.3581	2.6804	2.1783		2.1875	3.6055	2.9060
F5	1.3581	2.6804	2.1783	2.1875		2.9060	3.6055
H6	2.4058	1.4091	2.7403	3.6055	2.9060		2.0823
H7	2.4058	1.4091	2.7403	2.9060	3.6055	2.0823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	92.789	C1	P2	H7	92.789
P2	C1	F3	114.708	P2	C1	F4	110.566
P2	C1	F5	110.566	F3	C1	F4	106.672
F3	C1	F5	106.672	F4	C1	F5	107.295
H6	P2	H7	95.267

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)

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 CF3PH2 (phosphine, (trifluoromethyl)-)

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

States and conformations

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)