%chk=000180561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180561

0 1
O 6.206189 -0.490861 1.432779
O 5.748049 -0.270723 -1.983549
O 4.155720 -0.412708 2.340529
C -1.731788 0.435617 -0.462330
C -2.994365 0.369888 0.407660
C -0.464805 0.527318 0.398528
C -4.262567 0.279394 -0.451738
C 0.797801 0.589588 -0.471378
C -5.524881 0.211791 0.418484
C 2.061260 0.680274 0.393118
C -6.792489 0.121485 -0.441217
C -8.056102 0.052730 0.428918
C 3.309394 0.737991 -0.417899
C 4.516301 0.369023 0.033221
C 5.810188 0.432315 -0.750803
C 4.820520 -0.184436 1.370333
C 6.831009 -0.173019 0.208624
C -9.298673 -0.039725 -0.407213
C 8.124172 -0.419502 0.054048
C -10.312688 -0.858925 -0.135467
H -1.790066 1.306443 -1.143579
H -1.680194 -0.456402 -1.116448
H -3.047257 1.260181 1.063776
H -2.938180 -0.502064 1.087993
H -0.518509 1.418737 1.053448
H -0.410573 -0.343311 1.081701
H -4.210340 -0.611101 -1.107752
H -4.320290 1.151406 -1.131421
H 0.739253 1.458653 -1.155645
H 0.850005 -0.307319 -1.120066
H -5.577637 1.101252 1.075634
H -5.467320 -0.661062 1.097455
H 2.094040 -0.167820 1.119543
H 2.015599 1.582337 1.047991
H -6.743937 -0.771428 -1.094949
H -6.849176 0.992323 -1.122468
H 3.207345 1.117628 -1.443877
H -8.124753 0.955022 1.073430
H -7.982978 -0.803623 1.129785
H 6.083900 1.465720 -1.069942
H -9.324822 0.633653 -1.266339
H 5.534083 -1.220862 -1.839694
H 8.734017 -0.861791 0.831828
H 8.659405 -0.200004 -0.859049
H -11.210228 -0.907695 -0.733835
H -10.328433 -1.542587 0.700029


%chk=000180561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180561

0 1
O 6.065216 -1.131741 1.123583
O 5.606816 0.363463 -2.108402
O 4.058586 -0.838262 2.277992
C -1.638359 0.455703 -0.271642
C -2.982269 0.585189 0.480388
C -0.419366 0.858719 0.587971
C -4.202861 0.178058 -0.375525
C 0.920021 0.752120 -0.174563
C -5.547622 0.320557 0.372155
C 2.136078 1.131727 0.718954
C -6.767368 -0.085904 -0.484720
C -8.114429 0.069713 0.271121
C 3.424739 1.154490 -0.058601
C 4.563205 0.445864 0.195816
C 5.826877 0.490263 -0.661265
C 4.769067 -0.513909 1.312861
C 6.689302 -0.623159 -0.057142
C -9.313754 -0.266909 -0.589614
C 7.855511 -1.128920 -0.507875
C -10.244536 -1.213956 -0.309369
H -1.668456 1.085787 -1.185378
H -1.512318 -0.590773 -0.619385
H -3.109840 1.632808 0.824943
H -2.951859 -0.041291 1.396242
H -0.552676 1.899780 0.949811
H -0.378439 0.217232 1.492049
H -4.080138 -0.872238 -0.712974
H -4.228282 0.798776 -1.295781
H 0.890806 1.410700 -1.067455
H 1.052939 -0.282605 -0.548223
H -5.670670 1.371487 0.708922
H -5.523496 -0.299238 1.292778
H 2.209423 0.450840 1.582958
H 1.957671 2.153973 1.117956
H -6.657968 -1.137541 -0.817136
H -6.792002 0.532503 -1.406248
H 3.440103 1.799137 -0.952870
H -8.196156 1.121117 0.621790
H -8.110970 -0.568489 1.176417
H 6.336469 1.466284 -0.582481
H -9.410711 0.316504 -1.520000
H 5.215078 -0.529225 -2.295173
H 8.361024 -1.947515 0.010568
H 8.306684 -0.716491 -1.413850
H -11.088632 -1.409694 -0.980508
H -10.187240 -1.821131 0.603100


