%chk=000183637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183637

0 1
O -3.063344 0.765320 0.243300
O 2.371745 -0.094479 -0.512187
O 3.028621 0.406520 1.615509
C -1.230749 -0.807937 0.058790
C 0.159854 -1.036188 -0.159097
C -0.849604 1.654685 -0.018230
C 0.557215 1.430883 -0.163085
C -1.690167 0.557214 0.064281
C 1.002908 0.124101 -0.243701
C -2.103552 -1.931713 0.278826
C 0.639594 -2.387061 -0.285608
C -1.403935 3.052577 0.070080
C 1.521973 2.584863 -0.230537
C -1.600384 -3.212610 0.182133
C -0.237633 -3.438745 -0.119935
C -3.543087 -1.758265 0.637565
C 2.066579 -2.700192 -0.602827
C -1.920644 3.354541 1.475899
C 2.149964 2.722265 -1.616067
C -3.760865 1.165887 -0.964945
C 3.316246 0.078342 0.495131
C 4.654642 -0.208431 -0.094166
H -0.632742 3.802447 -0.215280
H -2.228337 3.173940 -0.669818
H 1.011603 3.537223 0.041901
H 2.307495 2.454411 0.545488
H -2.245939 -4.075231 0.341310
H 0.107711 -4.467988 -0.211005
H -3.674608 -0.967061 1.396429
H -4.136233 -1.450227 -0.234333
H -3.992476 -2.673802 1.039698
H 2.443620 -2.067755 -1.422542
H 2.709016 -2.528891 0.271653
H 2.207751 -3.744136 -0.910287
H -2.719995 2.650886 1.754436
H -2.323104 4.369005 1.547159
H -1.126990 3.251259 2.225399
H 2.668987 1.798876 -1.909066
H 2.874560 3.542060 -1.645156
H 1.389982 2.919063 -2.381151
H -4.803532 1.196556 -0.630845
H -3.612293 0.423346 -1.752946
H -3.416802 2.160608 -1.280394
H 4.599838 -0.482783 -1.159630
H 5.147693 -1.033909 0.443010
H 5.311417 0.672026 -0.008360


%chk=000183637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183637

0 1
O -3.125657 0.871077 0.085106
O 2.411410 -0.045491 -0.492917
O 2.948280 -0.019109 1.791817
C -1.281754 -0.787672 0.018772
C 0.146401 -1.033671 -0.201738
C -0.857632 1.687007 -0.011151
C 0.555837 1.447436 -0.115941
C -1.728628 0.585964 0.020794
C 0.999372 0.124974 -0.240730
C -2.180563 -1.905577 0.246601
C 0.623298 -2.396604 -0.356835
C -1.414023 3.099466 0.113202
C 1.547814 2.602780 -0.169078
C -1.661940 -3.198790 0.117627
C -0.303293 -3.435904 -0.217929
C -3.628940 -1.776137 0.700746
C 2.062212 -2.790981 -0.661041
C -1.492476 3.557449 1.595673
C 1.892117 3.017881 -1.625154
C -3.770035 0.893023 -1.241769
C 3.308685 -0.086313 0.601952
C 4.724066 -0.215628 0.084128
H -0.798765 3.811630 -0.465857
H -2.432763 3.135177 -0.306594
H 1.139922 3.471767 0.374639
H 2.477879 2.328370 0.357735
H -2.323181 -4.055373 0.293134
H 0.040595 -4.469985 -0.337449
H -3.745526 -1.017019 1.489847
H -4.313215 -1.485923 -0.117077
H -3.974744 -2.750898 1.088731
H 2.487598 -2.218850 -1.501525
H 2.722863 -2.640992 0.213713
H 2.099936 -3.864664 -0.914767
H -2.170635 2.894304 2.160240
H -1.877458 4.591391 1.667092
H -0.501361 3.523405 2.083842
H 2.342562 2.171268 -2.172202
H 2.607704 3.860650 -1.634982
H 0.985824 3.332580 -2.174481
H -4.839209 1.079815 -1.055219
H -3.638739 -0.072569 -1.767850
H -3.349772 1.703848 -1.869804
H 4.819119 -1.122558 -0.538093
H 5.426119 -0.267181 0.928564
H 4.972697 0.648124 -0.556973


