%chk=000084571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000084571

0 1
O 0.111382 -0.766033 0.205513
O -1.447678 0.755310 -0.373658
O 3.600030 -0.650445 -0.735943
O 0.943509 2.155807 -0.710311
O -2.016253 -2.859813 -0.126752
O -4.375049 -1.663627 1.182637
O -3.653975 0.931820 1.521735
O 3.195035 1.860279 1.633391
O 4.873077 0.220660 0.971550
O 2.765115 -3.615527 -0.037869
O -2.794223 3.252133 -1.889907
C 1.276317 -0.222827 -0.472695
C 1.538900 1.167121 0.144377
C -1.127320 -0.654105 -0.473723
C 2.407312 -1.216146 -0.151173
C -2.095244 -1.517911 0.369017
C -3.571353 -1.120059 0.138452
C -3.791185 0.411703 0.211480
C 3.014898 1.595376 0.228675
C -2.802098 1.115160 -0.749560
C 4.100614 0.547712 -0.157274
C 2.253945 -2.569481 -0.863680
C -2.826156 2.645181 -0.598980
H 1.099255 -0.137328 -1.567108
H 1.069962 1.227599 1.161872
H -1.060459 -0.937755 -1.540663
H 2.540220 -1.354607 0.944252
H -1.825564 -1.487821 1.449478
H -3.920208 -1.529550 -0.840335
H -4.856211 0.655283 -0.030842
H -2.972288 0.817898 -1.808491
H 3.153701 2.536657 -0.357301
H 4.836962 0.886445 -0.921472
H 1.189459 -2.845522 -0.992110
H 2.773841 -2.566526 -1.841278
H -3.784413 3.002490 -0.166463
H -1.991053 3.003859 0.031569
H -0.048614 2.052852 -0.681804
H -1.222128 -3.312486 0.244532
H -4.338623 -2.650471 1.145461
H -2.757858 0.736045 1.884308
H 3.980670 2.438394 1.773360
H 4.319428 0.107912 1.787244
H 3.743286 -3.535653 0.042492
H -1.885866 3.238999 -2.259704


%chk=000084571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084571

0 1
O 0.103134 -0.885104 0.443622
O -1.500478 0.806508 0.058129
O 3.672430 -0.851960 -0.718192
O 0.799450 2.088997 0.158955
O -2.093365 -2.896766 0.157896
O -4.687400 -1.808599 0.603189
O -4.040101 0.918325 1.432352
O 3.586855 2.598322 0.594808
O 4.525582 0.135296 1.268614
O 3.251262 -3.658961 -0.590712
O -1.789916 3.313430 -1.502670
C 1.305861 -0.344353 -0.265588
C 1.740189 0.988741 0.379129
C -1.150541 -0.622184 -0.179118
C 2.427496 -1.388450 -0.101824
C -2.242285 -1.475667 0.483143
C -3.631118 -1.076008 -0.071838
C -3.903975 0.447315 0.055127
C 3.081693 1.473210 -0.199248
C -2.756698 1.196192 -0.663272
C 4.164239 0.372802 -0.119737
C 2.178900 -2.703315 -0.846100
C -2.812327 2.726779 -0.635010
H 1.060556 -0.193788 -1.339269
H 1.858477 0.804762 1.468093
H -1.106631 -0.790897 -1.280052
H 2.615676 -1.579703 0.971921
H -2.199960 -1.312964 1.580169
H -3.622352 -1.324306 -1.160110
H -4.879279 0.670379 -0.410050
H -2.665584 0.868440 -1.720481
H 2.927464 1.770497 -1.255616
H 5.052511 0.634102 -0.722471
H 1.255179 -3.178449 -0.478951
H 2.075451 -2.492000 -1.933167
H -3.776025 3.061465 -1.053667
H -2.741793 3.091256 0.408881
H -0.132804 1.730289 0.314375
H -1.306927 -3.262234 0.635790
H -4.446740 -2.771477 0.565215
H -3.154910 0.841608 1.875991
H 2.850475 3.255922 0.690608
H 4.503832 1.024135 1.720142
H 4.110162 -3.190503 -0.759285
H -0.882566 3.137918 -1.137420


