%chk=000115811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115811

0 1
O 4.640194 0.575481 -1.627243
O 3.001956 -0.283049 1.540861
O -1.608113 -2.319220 0.637451
O 0.094193 -2.153691 2.000271
O 2.777962 -2.432990 0.848220
O -0.244655 -0.458309 0.476235
C 3.596221 -0.051368 -0.848140
C 2.311849 0.756973 -1.074043
C 2.779381 2.122257 -1.602808
C 4.258487 1.937442 -1.966174
C 4.095115 -0.032307 0.609890
C -4.416587 -0.378160 -1.037511
C -5.309314 0.777755 -0.566759
C -3.342746 -0.707646 0.005671
C -6.388171 1.111947 -1.606584
C -2.451722 -1.845167 -0.473784
C 2.406009 -1.519512 1.535446
C 1.254357 -1.447204 2.551822
C -7.279778 2.261320 -1.142745
C 1.579478 -2.240311 3.798343
C -0.560130 -1.517635 0.968966
H 3.543220 -1.090379 -1.239441
H 1.654011 0.250454 -1.802420
H 1.708212 0.848044 -0.148619
H 2.649257 2.907741 -0.838290
H 2.182017 2.437505 -2.474778
H 4.933938 2.597178 -1.400255
H 4.464785 2.013517 -3.045730
H 4.426203 0.973242 0.925869
H 4.890677 -0.775252 0.781559
H -3.938982 -0.112951 -2.001492
H -5.037878 -1.272724 -1.239500
H -5.786413 0.519891 0.398535
H -4.692227 1.675102 -0.365647
H -3.812894 -0.979998 0.972483
H -2.722904 0.190337 0.216988
H -7.008432 0.216598 -1.808270
H -5.912958 1.374747 -2.572136
H -1.802010 -1.563355 -1.319469
H -3.003500 -2.779445 -0.693467
H 0.966011 -0.387429 2.750124
H -7.798213 2.019588 -0.207831
H -6.702420 3.176746 -0.969415
H -8.045975 2.494632 -1.890834
H 0.725610 -2.253196 4.492381
H 2.444256 -1.821376 4.330070
H 1.802322 -3.294022 3.560502


%chk=000115811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115811

0 1
O 4.325120 0.395077 -1.921995
O 2.984465 -0.365432 1.509439
O -1.745461 -2.416215 0.994420
O 0.030292 -2.224808 2.325533
O 2.504289 -2.540655 0.793330
O -0.204949 -0.692058 0.561011
C 3.245101 0.128357 -0.929666
C 2.369365 1.401164 -0.883566
C 3.352587 2.524023 -1.306032
C 4.224237 1.814002 -2.361652
C 3.968535 -0.191705 0.395855
C -4.428201 -0.446944 -0.991730
C -5.416447 0.689493 -0.644068
C -3.526195 -0.842723 0.201191
C -6.307902 1.103065 -1.836904
C -2.569570 -1.978615 -0.178426
C 2.296928 -1.572102 1.552567
C 1.292847 -1.536337 2.717495
C -7.296810 2.235154 -1.484380
C 1.811678 -2.301828 3.937325
C -0.609682 -1.679115 1.222032
H 2.683110 -0.758544 -1.267014
H 1.546056 1.311761 -1.614072
H 1.921685 1.552848 0.111669
H 3.966665 2.850930 -0.446880
H 2.835817 3.409214 -1.714113
H 5.251736 2.209041 -2.437571
H 3.746330 1.843186 -3.361740
H 4.598683 0.649713 0.722201
H 4.570557 -1.110051 0.288345
H -3.794297 -0.128853 -1.845577
H -5.000011 -1.333355 -1.337769
H -6.061001 0.371228 0.201701
H -4.848606 1.573864 -0.287456
H -4.152785 -1.163515 1.055658
H -2.938866 0.036118 0.528597
H -6.870814 0.217223 -2.195766
H -5.662445 1.423701 -2.680056
H -1.888229 -1.674275 -0.993502
H -3.113171 -2.895635 -0.457905
H 1.067099 -0.481257 2.949140
H -7.975530 1.928488 -0.666117
H -6.758454 3.142252 -1.150380
H -7.920392 2.513559 -2.353662
H 1.056251 -2.284442 4.740175
H 2.738514 -1.833168 4.311129
H 2.021568 -3.350028 3.667489


