%chk=000191694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191694

0 1
O -3.595639 -1.036467 -1.870030
O -0.268514 1.190595 1.695393
O 1.354629 -0.086929 -1.817907
O 2.084714 0.558799 2.875387
O 5.753876 0.351075 -0.070165
C -1.786468 -0.342807 -0.508702
C -0.709219 -0.691571 0.313567
C -2.143020 1.080828 -0.837911
C 0.175992 0.360524 0.938305
C -2.569652 -1.405787 -1.025496
C 1.612779 0.277051 0.588201
C -0.432535 -2.035037 0.620564
C -2.943046 1.684542 0.280742
C -2.313713 -2.747392 -0.726996
C -1.235722 -3.053512 0.111370
C -4.253999 1.963063 0.235662
C 2.126144 0.093085 -0.714121
C 2.579741 0.453737 1.612615
C 3.500226 0.107632 -1.005919
C 3.955525 0.472298 1.377403
C 4.395806 0.305891 0.049463
C -4.950359 2.584491 1.409743
C -5.123206 1.699467 -0.954893
C 6.332923 0.195489 -1.393385
H -1.230661 1.694356 -0.998470
H -2.699903 1.120180 -1.801123
H 0.412964 -2.274360 1.266610
H -2.350177 1.877118 1.181878
H -2.938347 -3.538683 -1.130523
H -1.025235 -4.093260 0.360837
H 3.817213 -0.029904 -2.033550
H 4.681127 0.612203 2.169693
H -4.255483 2.865032 2.212631
H -5.491832 3.492946 1.116590
H -5.680124 1.888678 1.844969
H -4.828180 0.769161 -1.468981
H -6.180660 1.597372 -0.686651
H -5.046121 2.517022 -1.683488
H -4.115340 -1.820131 -2.176166
H 0.378835 -0.164332 -1.630183
H 2.794751 0.720735 3.553052
H 5.996348 1.003661 -2.049696
H 6.087617 -0.790547 -1.798698
H 7.406043 0.280686 -1.177422


%chk=000191694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191694

0 1
O -3.861143 -1.037167 -1.656016
O -0.208324 1.433793 1.279943
O 1.616485 -0.503706 -1.843056
O 2.114055 0.966436 2.801947
O 6.000813 0.319069 0.043422
C -1.856448 -0.289115 -0.550483
C -0.612397 -0.621292 0.073334
C -2.345613 1.139418 -0.771514
C 0.291468 0.443829 0.666908
C -2.666405 -1.373848 -0.993204
C 1.771843 0.275011 0.514621
C -0.229920 -1.983165 0.263431
C -3.231273 1.623347 0.373390
C -2.297329 -2.723576 -0.790527
C -1.076495 -3.027747 -0.151462
C -4.545596 1.982652 0.313543
C 2.365346 -0.130737 -0.724154
C 2.676031 0.649758 1.562435
C 3.762818 -0.123819 -0.932157
C 4.069543 0.646661 1.381682
C 4.607292 0.272455 0.125320
C -5.255112 2.494617 1.558920
C -5.408443 1.937659 -0.935655
C 6.620334 -0.055224 -1.233087
H -1.475234 1.817178 -0.837647
H -2.888514 1.185438 -1.730085
H 0.722589 -2.204473 0.755305
H -2.699329 1.700418 1.330554
H -2.955586 -3.531990 -1.135981
H -0.790015 -4.071487 0.012284
H 4.133872 -0.422374 -1.914264
H 4.757706 0.917401 2.189542
H -4.574539 2.544077 2.426198
H -5.672462 3.507865 1.390006
H -6.110424 1.841411 1.826378
H -4.929997 1.391169 -1.762730
H -6.374209 1.440092 -0.717301
H -5.652208 2.962788 -1.281582
H -4.369178 -1.850229 -1.899763
H 0.657844 -0.635533 -1.605610
H 2.818261 1.229305 3.446054
H 6.288597 0.615175 -2.048444
H 6.389808 -1.105152 -1.495804
H 7.701586 0.060611 -1.070491


