%chk=000197616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197616

0 1
O -0.047905 0.691298 0.055301
O 0.668206 -1.573633 -0.778833
O 5.861774 -1.592172 -0.408562
C -4.218209 1.486088 -0.822533
C -4.641123 0.005199 -0.755468
C -2.717508 1.627511 -0.805075
C -4.430101 -0.571380 0.611612
C -2.059974 1.851362 0.347245
C -2.028155 1.509068 -2.126096
C -0.584334 2.008880 0.459484
C -3.391572 -1.345410 0.966852
C 1.302242 0.519297 0.079374
C -3.261826 -1.870738 2.366652
C -2.289058 -1.742394 0.040985
C 1.722924 -0.774524 -0.389158
C 2.253926 1.445514 0.500633
C 3.066672 -1.100432 -0.416183
C 4.021889 -0.150845 0.017231
C 3.616137 1.102577 0.467724
C 5.461360 -0.514461 -0.017670
C 0.999643 -2.899580 -1.261823
H -4.636466 1.950877 -1.737073
H -4.675017 2.037535 0.024530
H -4.086634 -0.576884 -1.521842
H -5.712129 -0.079120 -1.030736
H -5.197884 -0.301365 1.333211
H -2.597165 1.886707 1.294796
H -1.109533 0.901744 -2.037331
H -2.651313 1.030599 -2.890815
H -1.731803 2.493975 -2.510112
H -0.173140 2.763586 -0.234224
H -0.253064 2.206290 1.493114
H -3.372395 -2.963018 2.387301
H -4.010722 -1.454530 3.050601
H -2.272610 -1.634764 2.782991
H -1.447290 -1.018814 0.103310
H -2.603902 -1.749379 -1.010232
H -1.871847 -2.726674 0.275618
H 1.961565 2.428178 0.858020
H 3.424595 -2.071835 -0.763455
H 4.350077 1.836198 0.801876
H 6.162899 0.259295 0.336450
H 0.005691 -3.301124 -1.498593
H 1.621489 -2.835767 -2.159383
H 1.481988 -3.483837 -0.472815


%chk=000197616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197616

0 1
O 0.039756 0.572162 0.134083
O 0.855727 -1.929511 0.262379
O 6.135310 -1.654320 -0.019432
C -4.407858 1.814608 -0.240171
C -4.916065 0.342936 -0.460973
C -2.946942 1.993963 -0.631176
C -4.342772 -0.632014 0.547352
C -1.970482 1.903426 0.318865
C -2.696673 2.217735 -2.111138
C -0.490719 1.980002 0.092214
C -3.339032 -1.537218 0.357595
C 1.415434 0.396135 0.078358
C -2.840123 -2.401528 1.504713
C -2.600309 -1.754110 -0.949853
C 1.868104 -0.971381 0.149170
C 2.365479 1.439544 -0.045206
C 3.240552 -1.252420 0.099006
C 4.189267 -0.196094 -0.021976
C 3.743541 1.143976 -0.094182
C 5.633022 -0.495262 -0.074451
C 1.276275 -3.334244 0.329144
H -5.044378 2.497039 -0.839364
H -4.555393 2.076381 0.824582
H -4.690304 0.029720 -1.497099
H -6.020937 0.358067 -0.371399
H -4.776616 -0.558372 1.557764
H -2.272308 1.706492 1.355648
H -1.630781 2.190728 -2.389083
H -3.215182 1.443041 -2.708708
H -3.112471 3.193044 -2.432211
H -0.221416 2.424480 -0.884407
H 0.008024 2.552819 0.899535
H -2.943208 -3.479832 1.267335
H -3.389209 -2.203621 2.442147
H -1.762868 -2.210143 1.681322
H -1.532369 -1.493617 -0.817654
H -3.000224 -1.151314 -1.781891
H -2.644110 -2.820973 -1.249100
H 2.033683 2.479197 -0.106562
H 3.628638 -2.274602 0.150161
H 4.474884 1.955667 -0.189470
H 6.291530 0.406153 -0.170276
H 0.340744 -3.906168 0.411147
H 1.822156 -3.631968 -0.586542
H 1.911020 -3.519504 1.216699


