%chk=000225597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225597

0 1
O -0.427132 -1.642593 0.938894
O -2.765730 1.227006 -0.319837
O 3.537068 0.799600 -0.178103
O -0.958872 -3.130933 -0.675066
O -3.263034 -0.597514 0.913703
O 2.551649 0.026095 -2.053441
C -1.627928 -0.769738 -0.929195
C -0.501539 0.183442 -1.387782
C 0.193009 0.925639 -0.240395
C 1.403219 1.738625 -0.738401
C -2.439191 -1.228035 -2.173587
C 1.828988 2.793192 0.298206
C -1.000707 -2.000812 -0.256413
C -2.618565 -0.096807 0.024322
C -3.568866 -2.197066 -1.850808
C 2.514954 0.765238 -1.093134
C 2.849993 3.775315 -0.267964
C 0.168397 -2.696848 1.764267
C -3.717751 2.029552 0.451429
C 4.645512 -0.143424 -0.344262
C 1.440796 -3.219780 1.135045
C -3.107227 2.417730 1.781425
C 4.485644 -1.221980 0.706551
H 0.247183 -0.391803 -1.979988
H -0.933521 0.928800 -2.089625
H -0.535203 1.610919 0.245098
H 0.505528 0.214476 0.556000
H 1.126771 2.265629 -1.691288
H -1.739851 -1.707976 -2.891836
H -2.843376 -0.329479 -2.683181
H 2.251969 2.287573 1.191750
H 0.933801 3.344174 0.648319
H -4.157115 -2.426244 -2.746776
H -4.260305 -1.808137 -1.093223
H -3.177668 -3.153837 -1.469165
H 3.124293 4.531253 0.476953
H 2.470550 4.304753 -1.148372
H 3.774944 3.258901 -0.559696
H 0.337211 -2.141078 2.704895
H -0.591641 -3.486079 1.905153
H -3.863145 2.886295 -0.231523
H -4.652625 1.452109 0.565850
H 5.527301 0.499624 -0.176943
H 4.644451 -0.543282 -1.376092
H 1.952873 -3.927933 1.796124
H 2.148998 -2.406815 0.893854
H 1.226699 -3.746299 0.189927
H -2.946482 1.531973 2.416105
H -2.135085 2.909624 1.656451
H -3.759764 3.102227 2.336762
H 5.280405 -1.973295 0.634177
H 3.517161 -1.746481 0.598854
H 4.506258 -0.802195 1.720582


%chk=000225597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225597

0 1
O -0.766341 -1.562811 1.375013
O -2.758633 1.199471 -0.355770
O 3.026824 0.071842 -0.271163
O 0.048834 -2.723251 -0.469896
O -3.443948 -0.848044 0.509917
O 3.217510 1.329963 -2.224546
C -1.361753 -0.729698 -0.837216
C -0.290308 0.354661 -1.212547
C 0.357000 1.122218 -0.039572
C 1.566342 1.985301 -0.490759
C -1.854099 -1.389693 -2.180562
C 2.134292 2.812483 0.701669
C -0.642877 -1.795404 0.013521
C -2.600252 -0.171389 -0.118651
C -2.834852 -2.570871 -2.047737
C 2.668123 1.130144 -1.115572
C 3.289678 3.759487 0.315153
C -0.054821 -2.505870 2.296181
C -3.990251 1.829613 0.216213
C 4.072680 -0.872239 -0.779452
C 1.327945 -1.956270 2.656316
C -3.756911 2.249804 1.669919
C 3.453365 -1.939004 -1.687438
H 0.492643 -0.179216 -1.786402
H -0.769566 1.072361 -1.903517
H -0.394715 1.788573 0.421766
H 0.700658 0.422321 0.741079
H 1.249996 2.686151 -1.288069
H -0.943880 -1.733496 -2.706333
H -2.303182 -0.583769 -2.793601
H 2.466188 2.110856 1.491065
H 1.297962 3.402633 1.126131
H -3.118865 -2.931480 -3.053359
H -3.755840 -2.291051 -1.509160
H -2.366635 -3.413182 -1.509385
H 3.621464 4.350185 1.188380
H 2.979288 4.466186 -0.476662
H 4.163933 3.200643 -0.065120
H -0.721184 -2.565495 3.171355
H 0.015027 -3.489563 1.800285
H -4.168606 2.693436 -0.444165
H -4.821689 1.107355 0.137144
H 4.493972 -1.305491 0.142395
H 4.842648 -0.286063 -1.311749
H 1.823444 -2.641101 3.369602
H 1.247850 -0.962999 3.130906
H 1.963907 -1.865791 1.759666
H -3.577056 1.367158 2.305792
H -2.892898 2.932197 1.750765
H -4.650139 2.777018 2.053620
H 4.218724 -2.696020 -1.942329
H 3.092105 -1.489495 -2.627725
H 2.610199 -2.450006 -1.190799


