%chk=000231712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231712

0 1
O 5.808335 -0.417233 -0.028726
O -3.159387 -4.222622 -0.608311
O -3.316309 2.485933 1.464290
O -1.646013 1.303597 2.403223
C 0.189395 0.229410 0.451987
C -0.323065 1.428652 -0.328509
C 1.674527 -0.012290 0.273757
C -0.683757 -0.960451 0.108532
C -1.393363 2.213399 0.149683
C 0.250216 1.757931 -1.569730
C 2.560348 1.074750 0.444049
C -1.445449 -1.566710 1.127268
C 2.198995 -1.282135 0.017556
C -0.763097 -1.454408 -1.198662
C -1.861171 3.304612 -0.607851
C -0.216498 2.841585 -2.311267
C 3.932285 0.902412 0.334223
C -2.260635 -2.656140 0.849594
C 3.580594 -1.485241 -0.097036
C -1.577079 -2.549958 -1.505786
C 4.432219 -0.389268 0.059689
C -2.316443 -3.139674 -0.474668
C -1.275426 3.622115 -1.830203
C -2.054686 1.920342 1.441646
C 6.441885 -1.694643 -0.276379
C -3.316476 -4.798104 -1.926850
C -4.091351 2.282650 2.676078
H 0.065072 0.448436 1.561582
H 1.077828 1.157668 -1.953166
H 2.160775 2.066083 0.665147
H -1.401243 -1.165634 2.144755
H 1.534771 -2.142171 -0.090513
H -0.183510 -0.981745 -1.992694
H -2.695967 3.900299 -0.226149
H 0.244015 3.082799 -3.269922
H 4.626558 1.729798 0.459585
H -2.853894 -3.138772 1.622493
H 3.961809 -2.480123 -0.297477
H -1.625814 -2.917751 -2.524086
H -1.639532 4.468221 -2.409511
H 7.504797 -1.420313 -0.284394
H 6.131865 -2.090893 -1.247287
H 6.223793 -2.391756 0.537765
H -2.361239 -5.190160 -2.286925
H -3.741747 -4.062072 -2.615026
H -4.027571 -5.611803 -1.733243
H -3.542263 2.674784 3.537972
H -4.295237 1.214381 2.801080
H -5.003163 2.853116 2.472320


%chk=000231712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231712

0 1
O 5.908567 -0.526590 0.215212
O -2.967925 -4.504877 -0.390619
O -3.501996 2.619197 1.172023
O -1.902028 1.330189 2.244212
C 0.179137 0.269829 0.506675
C -0.273447 1.484665 -0.328707
C 1.688208 -0.005192 0.383094
C -0.688520 -0.964464 0.211481
C -1.443413 2.249476 -0.004841
C 0.439191 1.835001 -1.503062
C 2.599303 0.875924 1.030513
C -1.006086 -1.860433 1.267946
C 2.225294 -1.094281 -0.338506
C -1.160205 -1.274709 -1.084794
C -1.851659 3.315758 -0.854055
C 0.029556 2.895688 -2.338280
C 3.988298 0.681423 0.956331
C -1.759402 -3.024295 1.038584
C 3.622101 -1.310548 -0.424718
C -1.922021 -2.440296 -1.337440
C 4.507050 -0.417192 0.224110
C -2.220253 -3.320073 -0.269197
C -1.125419 3.642108 -2.014466
C -2.245432 1.993175 1.232045
C 6.489322 -1.656254 -0.512313
C -3.471080 -4.849049 -1.721071
C -4.353148 2.437532 2.369124
H -0.012542 0.528359 1.563781
H 1.339810 1.265867 -1.755222
H 2.207690 1.727142 1.601117
H -0.663971 -1.632294 2.283739
H 1.548294 -1.800647 -0.830655
H -0.946332 -0.593720 -1.916426
H -2.746165 3.882282 -0.583720
H 0.609925 3.136997 -3.236098
H 4.689111 1.355832 1.458073
H -2.010380 -3.712920 1.851270
H 3.997536 -2.171090 -0.987198
H -2.273911 -2.642233 -2.353818
H -1.452585 4.469189 -2.653516
H 7.576974 -1.553015 -0.384342
H 6.235142 -1.616575 -1.589891
H 6.153817 -2.623639 -0.089668
H -2.642275 -4.991513 -2.442297
H -4.164034 -4.074227 -2.104185
H -4.012909 -5.797099 -1.587897
H -3.865915 2.873166 3.258014
H -4.534938 1.364743 2.549377
H -5.287636 2.964586 2.130184


