%chk=000188653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188653

0 1
O 2.974019 -1.052564 -0.143283
O -0.524733 -0.570683 -0.351375
C 2.751636 0.409078 -0.118631
C 1.622363 -1.473079 0.263185
C 0.789329 -0.788487 -0.886591
C 1.560254 0.537552 -1.116637
C 2.220512 0.615732 1.328174
C 1.413326 -0.680098 1.580732
C 4.055358 1.096630 -0.531122
C 1.562219 -2.971800 0.327272
C 3.879776 2.618198 -0.543371
C 5.212393 0.676380 0.380380
C -1.527998 -0.245867 -1.352573
C -2.815352 -0.087566 -0.589556
C -2.984114 0.942900 0.359394
C -3.867176 -0.979719 -0.841043
C -4.214706 1.067811 1.024437
C -1.877143 1.899316 0.662017
C -5.087575 -0.845535 -0.174865
C -5.259919 0.181345 0.757860
H 0.734271 -1.413993 -1.793494
H 1.912532 0.628920 -2.152739
H 0.930368 1.412452 -0.903704
H 1.603229 1.518695 1.421399
H 3.052514 0.714543 2.042240
H 1.793960 -1.236135 2.448622
H 0.341969 -0.481512 1.758443
H 4.298369 0.752075 -1.570776
H 1.893855 -3.428736 -0.614890
H 2.221539 -3.364665 1.113395
H 0.540744 -3.316728 0.535251
H 4.806229 3.114921 -0.854311
H 3.091302 2.930329 -1.235849
H 3.623669 3.005014 0.449334
H 5.115101 1.089310 1.389468
H 6.175559 1.003926 -0.021969
H 5.241294 -0.419813 0.477170
H -1.566835 -1.067246 -2.090654
H -1.234717 0.690986 -1.861245
H -3.733961 -1.787826 -1.559226
H -4.354347 1.860897 1.756308
H -2.029148 2.440417 1.603162
H -0.912261 1.363935 0.745702
H -1.769529 2.646566 -0.135123
H -5.898497 -1.540751 -0.378738
H -6.209176 0.288976 1.280020


%chk=000188653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188653

0 1
O 3.063446 -1.123806 -0.197203
O -0.547186 -0.644318 -0.204488
C 2.831622 0.366484 -0.092570
C 1.706079 -1.543855 0.279651
C 0.801004 -0.805885 -0.761237
C 1.580092 0.531888 -1.011142
C 2.376369 0.517945 1.393838
C 1.594280 -0.815817 1.650108
C 4.096287 1.112973 -0.550346
C 1.589747 -3.057731 0.293265
C 3.885965 2.646250 -0.493498
C 5.357380 0.691831 0.239810
C -1.536848 -0.226987 -1.225632
C -2.885793 -0.059969 -0.561219
C -3.148493 1.049677 0.298793
C -3.900394 -1.018289 -0.797571
C -4.428072 1.154226 0.897619
C -2.086563 2.100168 0.573843
C -5.174059 -0.899902 -0.197884
C -5.437310 0.193998 0.655369
H 0.743678 -1.409809 -1.692125
H 1.891415 0.633430 -2.065976
H 0.964654 1.407686 -0.736511
H 1.743917 1.411234 1.540610
H 3.248144 0.602754 2.064007
H 2.084056 -1.423901 2.429769
H 0.542118 -0.652669 1.933124
H 4.254456 0.825513 -1.611338
H 1.804245 -3.477256 -0.705954
H 2.300381 -3.498583 1.013999
H 0.565957 -3.352516 0.584405
H 4.781860 3.169735 -0.874350
H 3.022024 2.968092 -1.103693
H 3.717448 2.985074 0.546099
H 5.314379 1.039162 1.289325
H 6.260653 1.135278 -0.218717
H 5.465067 -0.405963 0.242910
H -1.587332 -1.000175 -2.021776
H -1.198972 0.725090 -1.690560
H -3.685576 -1.870611 -1.454004
H -4.636022 2.001433 1.562398
H -2.425333 2.817465 1.340520
H -1.150243 1.627542 0.920792
H -1.841420 2.678588 -0.339225
H -5.947404 -1.651249 -0.391613
H -6.419199 0.299875 1.130580


