%chk=000198593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198593

0 1
O 3.644004 -1.209153 -0.045690
O 3.740345 1.299414 -0.217678
O -1.337406 -2.395432 0.632238
O -5.218261 0.784931 -1.389374
O -4.939157 1.332168 0.764572
C 0.010380 -0.458475 0.341292
C 2.410708 -0.608716 0.063696
C 2.471158 0.825963 -0.035467
C 1.192033 -1.235701 0.249859
C 0.072845 0.929029 0.244923
C 1.304741 1.578740 0.055897
C -1.267638 -1.188763 0.540381
C -2.509191 -0.349547 0.660202
C 3.678232 -2.655907 0.045616
C 3.908943 2.736873 -0.328045
C -3.295307 -0.068003 -0.378508
C -4.518728 0.742764 -0.204334
H 1.107585 -2.321971 0.330039
H -0.831093 1.536546 0.313820
H 1.328613 2.662669 -0.016001
H -2.729975 -0.010457 1.681186
H 3.106484 -3.104771 -0.771605
H 3.321740 -2.986347 1.025411
H 4.752357 -2.854285 -0.069926
H 3.591687 3.230223 0.594785
H 3.376912 3.117234 -1.204323
H 4.996742 2.816267 -0.462835
H -3.104248 -0.414535 -1.400272
H -6.058402 1.314642 -1.317362


%chk=000198593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198593

0 1
O 3.680995 -1.326936 0.077971
O 4.069548 1.284752 0.101692
O -1.394070 -2.059134 -0.077131
O -6.095844 -0.321679 -0.204933
O -4.935444 1.696518 -0.153920
C 0.093509 -0.164055 -0.020263
C 2.527317 -0.546022 0.048206
C 2.743285 0.878333 0.061897
C 1.216949 -1.041775 0.007317
C 0.316830 1.236256 -0.005728
C 1.629758 1.749424 0.034836
C -1.258562 -0.789000 -0.063880
C -2.469109 0.091027 -0.092532
C 3.498763 -2.783616 0.064738
C 4.343214 2.727743 0.115731
C -3.725392 -0.436364 -0.135440
C -4.917642 0.440080 -0.163655
H 1.005849 -2.115126 -0.005272
H -0.515454 1.944653 -0.025360
H 1.780933 2.832327 0.045050
H -2.363943 1.181072 -0.079321
H 2.982595 -3.113215 -0.857130
H 2.928796 -3.122887 0.950752
H 4.517369 -3.195994 0.092864
H 3.906799 3.207558 1.012329
H 3.956531 3.215634 -0.799147
H 5.439092 2.805032 0.146264
H -3.876365 -1.520477 -0.150100
H -6.880204 0.291272 -0.223337


