%chk=000257906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257906

0 1
O 0.449174 -2.570572 -1.035527
O 3.162712 1.980223 0.523387
O -0.983762 -1.529406 1.763848
C 0.579386 -0.529406 0.290642
C 1.168229 -1.473787 -0.571758
C -0.795398 -0.738163 0.863020
C 1.290265 0.618996 0.629520
C -1.893129 0.092356 0.290600
C 2.584873 0.802237 0.100067
C 2.453346 -1.281785 -1.096035
C 3.172557 -0.132727 -0.763370
C -1.765386 0.725544 -0.954165
C -3.087416 0.216914 1.019992
C -2.823207 1.485451 -1.460607
C -4.139805 0.981741 0.513229
C -4.007247 1.616036 -0.727035
C 0.376723 -3.677737 -0.095822
C 4.503883 2.276206 0.065821
H 0.872260 1.375568 1.293766
H 2.872844 -2.031499 -1.766730
H 4.167392 0.018832 -1.171424
H -0.844566 0.620557 -1.531715
H -3.182047 -0.293578 1.982327
H -2.724933 1.974768 -2.428227
H -5.063358 1.080747 1.081122
H -4.829450 2.211345 -1.123549
H -0.282451 -4.378533 -0.620015
H -0.066594 -3.350818 0.853674
H 1.373732 -4.098474 0.051982
H 5.203846 1.512262 0.415944
H 4.697643 3.239671 0.556636
H 4.520886 2.381730 -1.022498


%chk=000257906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257906

0 1
O 0.623993 -2.915709 -0.903333
O 2.979763 2.081412 0.245308
O -1.251905 -1.869851 1.163856
C 0.476409 -0.632614 0.029951
C 1.240208 -1.701069 -0.533357
C -0.947469 -0.845739 0.476717
C 1.104024 0.615268 0.253469
C -1.992859 0.178331 0.139065
C 2.474367 0.803481 -0.044843
C 2.599442 -1.496667 -0.848387
C 3.230659 -0.257173 -0.601600
C -1.834315 1.108557 -0.923557
C -3.204525 0.172605 0.883486
C -2.868670 2.019420 -1.230323
C -4.230473 1.088598 0.583038
C -4.064654 2.015905 -0.475631
C 0.738654 -4.015142 0.081368
C 4.394542 2.327564 -0.041728
H 0.547901 1.451926 0.687622
H 3.155042 -2.317598 -1.314065
H 4.287767 -0.130658 -0.853018
H -0.916135 1.102074 -1.519570
H -3.314925 -0.563733 1.686552
H -2.744843 2.726850 -2.057513
H -5.158125 1.083404 1.165754
H -4.864505 2.726609 -0.712647
H 0.283877 -4.890879 -0.406513
H 0.182351 -3.750246 0.997330
H 1.802016 -4.223522 0.314710
H 5.048041 1.651000 0.543108
H 4.572199 3.369059 0.263502
H 4.613153 2.213239 -1.121650


