%chk=000183499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183499

0 1
O -0.992443 -2.031523 0.755520
O -2.447865 -2.678574 -0.847442
O 2.531794 1.200038 -0.766974
C -3.027564 -0.796645 0.622215
C -2.465036 0.528298 0.070271
C -3.064845 -0.822234 2.174253
C -2.743880 0.688809 -1.428318
C -2.103229 1.969947 -2.005775
C -3.475913 -2.210171 2.679381
C -4.031005 0.242155 2.704920
C -2.188519 -1.929446 0.063672
C -2.741952 2.308154 -3.360523
C -0.586091 1.814042 -2.157881
C 0.005342 -2.961885 0.248642
C 1.065617 -2.192269 -0.492721
C 1.284945 -0.841615 -0.195893
C 1.842266 -2.841418 -1.463355
C 2.288186 -0.167001 -0.896298
C 2.840752 -2.137441 -2.147020
C 3.080739 -0.791013 -1.872039
C 2.323455 1.831831 0.461133
C 2.599766 1.231869 1.694116
C 1.907596 3.166904 0.344024
C 2.447963 2.005741 2.848317
C 1.770902 3.916260 1.512753
C 2.035033 3.339372 2.761870
H -4.070889 -0.944497 0.237032
H -2.913983 1.376150 0.627827
H -1.374564 0.585175 0.267436
H -2.033592 -0.598411 2.548980
H -3.836986 0.708385 -1.602812
H -2.375653 -0.195336 -1.986818
H -2.303704 2.817807 -1.304631
H -4.434803 -2.534749 2.261140
H -2.725897 -2.969074 2.424796
H -3.579850 -2.217960 3.770382
H -5.065033 0.042336 2.402473
H -3.769607 1.243428 2.339985
H -4.013606 0.278280 3.799952
H -2.603086 1.497360 -4.084481
H -2.296383 3.209503 -3.794474
H -3.817832 2.485742 -3.266563
H -0.328465 0.992444 -2.836379
H -0.127954 2.722607 -2.561217
H -0.098606 1.599586 -1.199435
H 0.403347 -3.421305 1.174345
H -0.486976 -3.730967 -0.381274
H 0.667280 -0.339069 0.549521
H 1.666594 -3.889092 -1.697216
H 3.438668 -2.646791 -2.903673
H 3.849049 -0.225148 -2.393434
H 2.934069 0.198764 1.752124
H 1.709037 3.591044 -0.637785
H 2.658048 1.563421 3.822190
H 1.453197 4.957147 1.451242
H 1.921366 3.932239 3.666718


%chk=000183499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183499

0 1
O -1.247743 -1.439920 1.204231
O -2.017341 -3.100637 -0.241787
O 2.868247 1.694338 -0.824013
C -3.544513 -1.276428 0.478671
C -3.330607 0.150819 -0.108062
C -4.114943 -1.266798 1.938468
C -2.711016 0.146190 -1.524537
C -2.605957 1.547336 -2.185108
C -4.240162 -2.705186 2.496328
C -5.484976 -0.550545 2.004203
C -2.233227 -2.056250 0.416029
C -2.106512 1.410034 -3.643432
C -1.682577 2.500809 -1.387418
C 0.134722 -2.034386 1.133030
C 0.921881 -1.421981 -0.006249
C 1.571062 -0.176130 0.178233
C 0.986514 -2.070228 -1.266119
C 2.274036 0.409841 -0.897533
C 1.689867 -1.467545 -2.333830
C 2.337763 -0.226027 -2.157307
C 3.441204 2.173253 0.382938
C 4.168471 1.342418 1.267407
C 3.336426 3.563319 0.607362
C 4.785168 1.922204 2.398575
C 3.962528 4.128641 1.739765
C 4.684669 3.312201 2.642093
H -4.249190 -1.835062 -0.169772
H -4.311572 0.662600 -0.147454
H -2.687899 0.719933 0.589261
H -3.392276 -0.709167 2.567946
H -3.317370 -0.513488 -2.180239
H -1.695121 -0.298502 -1.489792
H -3.625054 1.992045 -2.208200
H -4.930540 -3.310001 1.877661
H -3.264947 -3.224322 2.516721
H -4.635087 -2.687839 3.528791
H -6.213945 -1.030456 1.322408
H -5.414058 0.517206 1.732948
H -5.896738 -0.608103 3.028908
H -1.091883 0.966398 -3.663404
H -2.055068 2.394602 -4.144822
H -2.772939 0.757287 -4.238301
H -0.667844 2.067358 -1.292345
H -1.587651 3.476273 -1.900378
H -2.065935 2.693831 -0.369132
H 0.560233 -1.781875 2.116953
H 0.035420 -3.127051 1.017455
H 1.507866 0.339118 1.142890
H 0.465566 -3.022818 -1.406314
H 1.735671 -1.965705 -3.308078
H 2.886381 0.259761 -2.969720
H 4.262382 0.270094 1.069013
H 2.773768 4.174685 -0.104446
H 5.353603 1.284504 3.084724
H 3.883280 5.206770 1.917238
H 5.167156 3.753788 3.520339


