%chk=000236297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236297

0 1
O -0.196528 0.171894 -0.980315
O -0.063121 -1.224594 0.889909
C -0.918682 -0.325161 0.152815
C 2.008276 -0.180705 0.049754
C -2.000358 -1.247772 -0.425599
C -1.432246 0.791791 1.073795
C 1.073751 0.793186 -0.706268
C 1.221785 -0.709206 1.278520
C -3.169392 -0.450797 -1.010484
C -2.601378 1.543195 0.428880
C -3.711188 0.577926 -0.009382
C 3.266092 0.562058 0.556997
C 2.376695 -1.358234 -0.857978
C 4.080744 1.226812 -0.548664
H -2.342341 -1.931797 0.376094
H -1.541528 -1.889849 -1.204595
H -0.620207 1.496953 1.323751
H -1.748510 0.333839 2.031997
H 0.905218 1.729607 -0.149709
H 1.436011 1.022665 -1.724172
H 1.697039 -1.597655 1.731724
H 1.075936 0.065589 2.048881
H -3.973719 -1.143012 -1.320953
H -2.830742 0.067397 -1.931332
H -2.232514 2.109496 -0.450431
H -3.003359 2.290717 1.137070
H -4.545437 1.143411 -0.464233
H -4.134336 0.061276 0.872892
H 3.910478 -0.158056 1.100956
H 2.974647 1.326417 1.304177
H 1.461082 -1.889608 -1.163644
H 2.884929 -1.029393 -1.769424
H 3.026247 -2.078792 -0.353384
H 4.371989 0.507649 -1.324301
H 3.526416 2.033505 -1.040461
H 5.002951 1.663347 -0.147084


%chk=000236297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236297

0 1
O -0.264907 0.151735 -0.987396
O -0.035999 -1.334872 0.911360
C -0.942700 -0.413484 0.198455
C 2.009811 -0.172857 0.022003
C -2.077382 -1.289519 -0.348439
C -1.477949 0.697479 1.135981
C 1.026752 0.798574 -0.687491
C 1.259308 -0.726467 1.266340
C -3.177973 -0.445992 -1.033587
C -2.571994 1.542404 0.438791
C -3.721191 0.649400 -0.085907
C 3.263631 0.601778 0.525772
C 2.389422 -1.341605 -0.917358
C 4.148779 1.232399 -0.573268
H -2.499515 -1.857109 0.502522
H -1.635610 -2.017245 -1.051643
H -0.660783 1.352542 1.489987
H -1.897499 0.194235 2.028890
H 0.874100 1.706680 -0.063109
H 1.404870 1.111970 -1.674685
H 1.828429 -1.545783 1.739149
H 1.117966 0.082321 2.016330
H -3.998239 -1.110592 -1.366077
H -2.753217 0.029379 -1.938359
H -2.118366 2.086388 -0.412909
H -2.961220 2.301227 1.144978
H -4.473977 1.268816 -0.610768
H -4.237702 0.173008 0.773767
H 3.881833 -0.098098 1.126160
H 2.935320 1.400497 1.224527
H 1.493548 -1.935112 -1.165434
H 2.828070 -0.974979 -1.862755
H 3.126554 -2.009750 -0.432725
H 4.546495 0.467765 -1.263702
H 3.593833 1.976241 -1.173854
H 5.012203 1.752723 -0.119747


