%chk=000194106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194106

0 1
S 3.453664 2.859891 0.616580
P -3.354414 1.761569 0.973792
F 3.779525 2.182638 -0.774588
O -1.806204 -1.795989 -1.929097
O -2.786221 -4.509902 -0.359340
O -4.646465 -2.874527 -0.692492
O -2.858488 0.346271 0.332347
O -2.371067 2.915456 0.270882
O -4.667524 2.117734 0.063248
O -3.449925 1.753752 2.428184
O 4.056228 4.149617 0.500593
O 3.928778 1.873187 1.556746
N -0.075445 -2.144287 -0.361310
N 1.148594 -0.683182 0.930138
N 1.828036 -3.438725 -1.357537
N 4.010774 -2.672108 -0.556025
N 4.281442 -0.938905 1.025307
C -2.326931 -3.209525 -0.047990
C -3.480918 -2.180857 -0.233690
C -1.215884 -2.766390 -1.045342
C -3.068310 -1.289546 -1.421908
C -2.886180 0.204456 -1.120455
C 1.278710 -2.462133 -0.570638
C -0.082344 -1.040259 0.558588
C 2.026265 -1.549212 0.252627
C 3.450318 -1.689086 0.247892
C 3.191106 -3.476578 -1.293577
C -1.015121 2.910559 0.492260
C -0.380515 2.183247 1.505670
C -0.301069 3.712487 -0.422419
C 1.751940 2.934329 0.607799
C 1.016531 2.183146 1.536033
C 1.084303 3.723678 -0.346890
H -1.966666 -3.305309 0.999987
H -3.721520 -1.621170 0.693888
H -0.852793 -3.588244 -1.720327
H -3.768579 -1.431409 -2.285353
H -1.898136 0.551365 -1.497384
H -3.707391 0.801907 -1.564914
H -3.270141 -4.510870 -1.230670
H -4.952179 -3.513209 -0.001571
H -1.013572 -0.590612 0.884921
H 3.692898 -4.242826 -1.910399
H 3.936482 -0.111915 1.520331
H 5.283631 -1.022750 0.922449
H -5.293729 2.818075 0.389629
H -0.924464 1.627005 2.273859
H -0.844616 4.297010 -1.163928
H 1.534801 1.572873 2.292485
H 1.655382 4.347973 -1.044495


%chk=000194106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194106

0 1
S 3.782146 3.379832 0.914515
P -3.159678 1.238154 1.411983
F 4.499392 1.804561 0.138290
O -2.220792 -1.019239 -2.180747
O -1.773902 -4.196418 -0.416024
O -3.917989 -3.689798 -1.922711
O -3.324370 -0.126664 0.421430
O -2.137181 2.361642 0.518242
O -4.654738 2.013390 1.119723
O -2.704509 0.931644 2.892792
O 4.202308 4.547605 -0.103132
O 4.291615 3.325098 2.436855
N -0.079095 -1.517476 -1.263853
N 1.664483 -0.059706 -0.968821
N 0.791333 -3.466313 0.016743
N 3.000307 -3.020571 0.979515
N 4.127137 -0.963637 0.744899
C -2.107597 -2.796395 -0.533763
C -3.582026 -2.642591 -0.963115
C -1.357743 -2.097513 -1.708173
C -3.614536 -1.283489 -1.697757
C -4.076494 -0.087319 -0.875111
C 0.865748 -2.193642 -0.491018
C 0.454439 -0.247086 -1.529170
C 1.937580 -1.278446 -0.316900
C 3.042624 -1.734283 0.468763
C 1.911221 -3.796215 0.735902
C -0.742319 2.521926 0.674708
C -0.021564 2.090591 1.817219
C -0.109916 3.202934 -0.394345
C 1.964847 3.012715 0.803694
C 1.364970 2.334165 1.877057
C 1.273068 3.450423 -0.339264
H -1.925551 -2.233294 0.401085
H -4.266024 -2.667497 -0.093947
H -1.172768 -2.823682 -2.524540
H -4.268138 -1.372849 -2.585857
H -3.852657 0.852699 -1.409078
H -5.154542 -0.144925 -0.645351
H -0.769789 -4.220558 -0.184567
H -3.379070 -4.486368 -1.651556
H -0.090371 0.478329 -2.125587
H 1.929413 -4.800820 1.167754
H 4.201425 0.005492 0.411251
H 4.874290 -1.370473 1.306488
H -4.816575 2.861757 1.604122
H -0.528519 1.581461 2.642476
H -0.707405 3.523891 -1.251561
H 1.949886 2.020145 2.747016
H 1.790225 3.967512 -1.152678


