%chk=000221684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221684

0 1
O -1.537533 -1.048300 -0.681301
O -1.196965 0.915367 0.542146
C 0.776705 -0.386016 -0.151718
C 2.163588 -0.239526 -0.814345
C -0.178444 -1.077065 -1.160283
C 0.184216 1.016873 0.141264
C 0.815458 -1.191582 1.166067
C 3.204938 0.453864 0.072816
C -2.045233 0.271794 -0.424150
C 1.428348 -2.582445 1.041895
C -3.382813 0.065831 0.278311
C 4.568133 0.538505 -0.629653
C -4.540488 0.727152 -0.474668
C 5.610243 1.230156 0.246206
C -5.869433 0.509068 0.244538
H 2.064619 0.316484 -1.767145
H 2.534694 -1.245947 -1.095164
H -0.143211 -0.612163 -2.159030
H 0.013985 -2.162164 -1.244542
H 0.644839 1.498957 1.021463
H 0.256304 1.689288 -0.729343
H -0.233269 -1.276031 1.533419
H 1.359182 -0.614355 1.938055
H 2.863674 1.470397 0.345067
H 3.311616 -0.094160 1.029918
H -2.052847 0.857684 -1.361452
H 0.891896 -3.196945 0.308767
H 2.480502 -2.541550 0.739507
H 1.382729 -3.112755 2.000556
H -3.309267 0.462482 1.314662
H -3.562105 -1.025416 0.396586
H 4.466217 1.082834 -1.588766
H 4.919381 -0.477965 -0.894843
H -4.602630 0.320054 -1.503794
H -4.348994 1.813633 -0.582186
H 5.763859 0.695244 1.190509
H 5.313346 2.255183 0.495797
H 6.580353 1.284524 -0.260577
H -6.107476 -0.556977 0.338952
H -5.855349 0.931418 1.256186
H -6.695367 0.983072 -0.297627


%chk=000221684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221684

0 1
O -1.516651 -1.468537 -0.671897
O -1.398032 0.685550 0.405600
C 0.747197 -0.515243 -0.120404
C 2.143178 -0.298777 -0.776140
C -0.108543 -1.365673 -1.103624
C 0.016094 0.853124 0.012676
C 0.825452 -1.190768 1.281645
C 3.170485 0.508554 0.052199
C -2.111290 -0.134198 -0.575419
C 1.550766 -2.552921 1.332981
C -3.557729 -0.283552 -0.125066
C 4.525854 0.656562 -0.677615
C -4.336747 1.050949 -0.144788
C 5.562894 1.458304 0.137875
C -5.799208 0.879326 0.317522
H 2.000755 0.210986 -1.753615
H 2.582956 -1.289327 -1.015494
H -0.071213 -0.908077 -2.119546
H 0.252344 -2.404607 -1.170746
H 0.455902 1.477839 0.806831
H 0.066549 1.403394 -0.955639
H -0.208632 -1.312053 1.653003
H 1.324312 -0.489107 1.980260
H 2.772821 1.519238 0.276760
H 3.342142 0.014755 1.029227
H -2.018907 0.363048 -1.575377
H 1.048313 -3.311089 0.704984
H 2.603033 -2.478456 1.001171
H 1.556649 -2.941856 2.367722
H -3.552450 -0.710755 0.895223
H -4.043313 -1.023018 -0.789821
H 4.361864 1.149587 -1.657737
H 4.929261 -0.352362 -0.901577
H -4.320685 1.471576 -1.171493
H -3.815309 1.779421 0.503545
H 5.763561 0.971879 1.111130
H 5.199367 2.482615 0.344650
H 6.524079 1.543780 -0.401357
H -6.342740 0.167561 -0.332470
H -5.843655 0.489592 1.351773
H -6.343320 1.841240 0.295147


