%chk=000191407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191407

0 1
O 3.080122 -0.223121 1.964041
O -0.482394 -2.509883 -0.880097
O -4.953259 -0.052184 2.545995
O 5.338922 0.048833 -0.620927
C -0.243931 1.030585 -0.602765
C 1.070967 1.067864 0.187406
C 1.967012 -0.161560 -0.167853
C -1.023276 -0.250973 -0.183433
C -2.387117 -0.354684 -0.931811
C -3.223495 0.944400 -0.686353
C 3.278646 0.206833 0.607261
C -1.084542 2.291401 -0.347359
C 2.015053 2.270374 0.022904
C 1.242321 -1.420776 0.314915
C -2.432433 2.209050 -1.069846
C -0.138116 -1.490078 -0.323787
C 3.386963 1.747983 0.506263
C -3.205386 -1.577482 -0.435404
C -3.724476 1.058877 0.765714
C 2.284902 -0.280905 -1.662844
C -2.153695 -0.538174 -2.443241
C -3.684343 -1.460199 1.010727
C -4.519406 -0.184845 1.183134
C 4.542178 -0.525120 0.085727
C 4.698895 -1.948923 0.509210
H -0.024426 0.970421 -1.698420
H 0.818499 0.998579 1.278935
H -1.262140 -0.167919 0.910093
H -4.121859 0.887368 -1.351117
H -0.530779 3.186036 -0.690368
H -1.245095 2.434367 0.738470
H 1.680441 3.138444 0.611961
H 2.066371 2.605584 -1.027236
H 1.164583 -1.422492 1.422987
H 1.813554 -2.338147 0.072274
H -3.033410 3.110718 -0.844699
H -2.273772 2.224774 -2.165931
H 4.192733 2.033513 -0.200529
H 3.663990 2.186677 1.478189
H -2.601219 -2.502761 -0.557682
H -4.078901 -1.720107 -1.101382
H -2.874295 1.216337 1.454997
H -4.362628 1.956399 0.877617
H 2.819040 -1.209185 -1.896142
H 1.370219 -0.285481 -2.270576
H 2.904714 0.550129 -2.023348
H -1.631273 -1.486096 -2.641507
H -3.094352 -0.566676 -3.001004
H -1.544708 0.266168 -2.866608
H -4.290429 -2.345017 1.287010
H -2.827562 -1.462823 1.708573
H -5.492331 -0.253360 0.644935
H 3.540419 0.372490 2.589489
H 4.242443 -2.140566 1.494525
H 4.214165 -2.628223 -0.207528
H 5.757612 -2.241856 0.554765
H -4.199418 -0.003289 3.159579


%chk=000191407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191407

0 1
O 2.928274 -0.046431 2.060718
O -0.399069 -2.493800 -1.169298
O -4.941172 -0.170936 2.695004
O 5.461414 -0.079530 -0.435839
C -0.230120 1.065287 -0.686541
C 1.108876 1.093869 0.076901
C 2.013363 -0.148858 -0.209003
C -1.016704 -0.250643 -0.305598
C -2.433184 -0.344788 -0.977656
C -3.249243 0.953821 -0.615255
C 3.284581 0.236300 0.645840
C -1.085417 2.317419 -0.372408
C 2.063750 2.295680 -0.118771
C 1.252065 -1.421261 0.245866
C -2.490507 2.246126 -1.009893
C -0.099968 -1.481724 -0.477573
C 3.444300 1.769901 0.396564
C -3.244084 -1.584638 -0.473911
C -3.694882 1.000904 0.875358
C 2.410028 -0.283284 -1.702852
C -2.315304 -0.473336 -2.522917
C -3.670527 -1.525346 1.011185
C -4.488170 -0.252288 1.289572
C 4.553041 -0.580176 0.281508
C 4.644612 -2.011820 0.790427
H -0.027665 1.056022 -1.776929
H 0.868703 1.045381 1.161629
H -1.162373 -0.175497 0.796776
H -4.180403 0.908245 -1.222172
H -0.556643 3.219475 -0.736674
H -1.171101 2.428347 0.728394
H 1.726438 3.187476 0.436615
H 2.124733 2.579425 -1.186486
H 1.095604 -1.367657 1.340293
H 1.799017 -2.350676 0.010731
H -3.084613 3.130492 -0.704752
H -2.393289 2.299768 -2.111563
H 4.253997 1.939324 -0.332550
H 3.747008 2.276066 1.333454
H -2.671442 -2.504950 -0.675844
H -4.164141 -1.643542 -1.093245
H -2.817804 1.098658 1.549363
H -4.320977 1.898569 1.041748
H 3.052195 -1.168988 -1.859702
H 1.519391 -0.420545 -2.340302
H 2.965456 0.595508 -2.071420
H -1.853085 -1.437442 -2.792480
H -3.322353 -0.432805 -2.980750
H -1.715010 0.333719 -2.978251
H -4.274187 -2.415797 1.268126
H -2.780535 -1.542178 1.677022
H -5.438807 -0.293732 0.725735
H 3.519478 0.492473 2.644945
H 4.030929 -2.166623 1.690095
H 4.276183 -2.692238 -0.003259
H 5.698417 -2.275012 0.979753
H -4.138777 -0.170415 3.278172


