%chk=000114653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114653

0 1
O 2.595220 -1.530927 1.247357
O 6.209253 0.708184 -0.213469
O -4.871562 1.935146 -0.207947
C 2.786331 -0.797064 -0.013683
C 1.972256 0.502625 -0.155674
C 0.531534 0.263597 0.404210
C 2.089636 -2.138532 0.007407
C -0.139815 -0.929740 -0.344812
C 0.587843 -2.257888 -0.055218
C -1.590671 -1.009819 0.132594
C 4.241128 -0.703258 -0.416825
C 2.699941 1.589866 0.677009
C -2.373975 0.296971 -0.244437
C -0.298751 1.568456 0.361921
C -1.804123 1.410825 0.640931
C 1.925667 0.896803 -1.640710
C 4.925150 0.422844 0.381229
C 4.170871 1.753904 0.284734
C -2.537250 -2.140517 -0.333990
C -3.815681 -0.167867 0.006266
C -2.302593 0.691183 -1.728557
C -3.896414 -1.507026 -0.110445
C -4.908536 0.803085 0.227913
C -6.077116 0.316641 1.042841
H 0.640308 -0.040965 1.477544
H 2.641382 -3.039015 -0.277537
H -0.105969 -0.740554 -1.443429
H 0.245793 -2.670675 0.920355
H 0.297621 -3.005899 -0.817878
H -1.562806 -1.075055 1.253977
H 4.330803 -0.502501 -1.503427
H 4.761541 -1.663163 -0.239226
H 2.628976 1.326305 1.752099
H 2.183939 2.561489 0.562646
H -0.172971 2.049748 -0.631726
H 0.120965 2.281999 1.097586
H -1.980742 1.188907 1.708678
H -2.329324 2.366665 0.442557
H 1.537677 0.082004 -2.262316
H 1.274001 1.767018 -1.794020
H 2.917332 1.164747 -2.023816
H 5.084477 0.114151 1.437617
H 4.265413 2.153025 -0.746085
H 4.662914 2.505226 0.932303
H -2.401610 -3.069231 0.240897
H -2.388407 -2.398781 -1.397353
H -2.592734 -0.133183 -2.385712
H -2.989758 1.528309 -1.924038
H -1.298931 1.014867 -2.021367
H -4.780483 -2.120403 -0.056286
H 6.817568 -0.043146 -0.104149
H -5.757131 -0.123301 1.995284
H -6.653210 -0.445455 0.503672
H -6.767177 1.142172 1.272606


%chk=000114653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114653

0 1
O 2.586822 -1.479448 1.288020
O 6.395510 0.575507 0.087122
O -4.871428 2.005096 0.324919
C 2.826564 -0.781301 -0.052735
C 2.029606 0.529083 -0.255512
C 0.563930 0.329773 0.287269
C 2.112517 -2.098262 -0.019058
C -0.145578 -0.881162 -0.414144
C 0.602096 -2.218051 -0.146207
C -1.589229 -0.954125 0.109775
C 4.312265 -0.721097 -0.383683
C 2.766359 1.642944 0.560487
C -2.419714 0.341603 -0.179932
C -0.276417 1.643545 0.251223
C -1.772498 1.480719 0.643079
C 2.038681 0.877768 -1.773370
C 4.984775 0.376736 0.472905
C 4.288126 1.730075 0.280839
C -2.543986 -2.116350 -0.279482
C -3.827617 -0.150496 0.214232
C -2.490078 0.723664 -1.691788
C -3.889403 -1.518515 0.110878
C -4.977433 0.749078 0.487321
C -6.295532 0.137183 0.961820
H 0.672123 0.041282 1.355416
H 2.692904 -2.995043 -0.284124
H -0.166743 -0.704696 -1.507804
H 0.234582 -2.664606 0.800879
H 0.363516 -2.943711 -0.948463
H -1.510529 -1.008375 1.220003
H 4.479939 -0.492740 -1.453351
H 4.771806 -1.706772 -0.173502
H 2.604607 1.441141 1.638891
H 2.309916 2.626471 0.343970
H -0.224292 2.104110 -0.753518
H 0.179981 2.375111 0.943959
H -1.850930 1.237029 1.722332
H -2.309191 2.433269 0.486540
H 1.670068 0.039545 -2.391670
H 1.400690 1.755807 -1.976715
H 3.052854 1.125888 -2.128463
H 4.919499 0.071594 1.540026
H 4.485384 2.076158 -0.751940
H 4.751358 2.473501 0.955287
H -2.326803 -3.065508 0.243949
H -2.521813 -2.339571 -1.368675
H -2.871371 -0.114629 -2.303718
H -3.178903 1.577961 -1.815192
H -1.508154 1.018943 -2.099060
H -4.793839 -2.122182 0.247364
H 6.895768 -0.261790 0.262048
H -6.146193 -0.482274 1.864681
H -6.729247 -0.513678 0.179493
H -7.007525 0.946596 1.185479


