%chk=000243153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243153

0 1
S 2.031211 -0.266175 -0.070747
F 4.902195 -0.286004 2.161694
O -4.921941 -1.008600 0.789125
N -2.959392 -0.161590 0.025182
N -1.047608 -1.415589 -0.244162
N -1.882962 2.065852 0.453803
N 0.558334 1.930336 0.384194
C -4.394873 0.174638 0.145621
C -5.037369 0.392195 -1.232486
C -6.561741 0.455633 -1.086988
C -7.081589 -0.793992 -0.366119
C -6.357713 -0.983356 0.966778
C -1.886068 0.719316 0.193263
C -2.384719 -1.450556 -0.227326
C -0.690479 -0.081462 0.012047
C 0.537734 0.604061 0.125729
C -0.640616 2.600827 0.537835
C 3.313341 1.011957 0.169406
C 4.588416 0.299373 -0.107789
C 5.338849 -0.329395 0.902057
C 5.092133 0.224526 -1.418281
C 6.537794 -1.004297 0.655761
C 6.287930 -0.444667 -1.689672
C 7.008838 -1.057241 -0.658241
H -4.521700 1.052038 0.828801
H -4.757263 -0.428107 -1.923625
H -4.644837 1.321674 -1.689612
H -7.030511 0.541891 -2.086411
H -6.857370 1.369475 -0.535151
H -8.172863 -0.722111 -0.200304
H -6.926715 -1.686290 -1.005716
H -6.603444 -0.191273 1.695734
H -6.536465 -1.978450 1.415799
H -3.016806 -2.321689 -0.364193
H -0.566846 3.680065 0.749525
H 3.247932 1.438851 1.191491
H 3.140720 1.869408 -0.514120
H 4.537583 0.692478 -2.233271
H 7.089472 -1.479505 1.465907
H 6.659748 -0.491728 -2.712310
H 7.940058 -1.578618 -0.878527


%chk=000243153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243153

0 1
S 2.019301 -0.628893 -0.189364
F 4.988293 -0.074995 2.212309
O -5.117039 -1.152017 0.736215
N -3.020908 -0.394532 0.048877
N -1.158195 -1.696659 -0.287302
N -1.927096 1.793667 0.445430
N 0.516166 1.630152 0.319468
C -4.428380 0.006222 0.158844
C -5.041672 0.403024 -1.200929
C -6.548406 0.707887 -1.022601
C -7.263742 -0.490260 -0.354530
C -6.553018 -0.865051 0.958829
C -1.924674 0.458704 0.179013
C -2.503274 -1.669920 -0.230653
C -0.774083 -0.367386 -0.034811
C 0.480580 0.291238 0.051632
C -0.663540 2.305344 0.500997
C 3.278034 0.797164 0.078139
C 4.667413 0.273325 -0.166886
C 5.496370 -0.149577 0.896577
C 5.218850 0.187073 -1.472481
C 6.803790 -0.631692 0.723688
C 6.528235 -0.295235 -1.686700
C 7.321701 -0.705182 -0.588702
H -4.468295 0.871066 0.856524
H -4.901350 -0.435597 -1.909509
H -4.500156 1.281365 -1.597253
H -7.005918 0.939695 -2.001087
H -6.669624 1.611399 -0.390161
H -8.322140 -0.247624 -0.139863
H -7.252149 -1.362373 -1.036006
H -6.644647 -0.039060 1.698167
H -6.952322 -1.790416 1.403718
H -3.153958 -2.531303 -0.349296
H -0.576611 3.374251 0.714533
H 3.130115 1.155044 1.106020
H 2.993401 1.593057 -0.625266
H 4.602994 0.501393 -2.322801
H 7.389107 -0.938282 1.595338
H 6.929261 -0.351591 -2.703816
H 8.337982 -1.079526 -0.749597


