%chk=000228857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228857

0 1
O 2.712161 -1.906213 -0.843328
O 2.082212 1.228829 0.562089
O 2.782958 1.064029 -1.583662
C 1.770918 -0.870909 -0.437586
C 2.405213 -1.797766 0.595957
C 0.354585 -1.019850 -0.946510
C 3.541725 -1.277975 1.431259
C 1.628204 -2.948497 1.165709
C 2.294481 0.542061 -0.615627
C -0.652778 -0.418780 0.040384
C -2.073596 -0.431563 -0.535437
C -3.085072 0.150123 0.461471
C -4.506623 0.144883 -0.116081
C 2.425920 2.650452 0.598566
C -5.520518 0.724656 0.880340
C 1.351390 3.457043 -0.100067
C -6.937106 0.722071 0.310158
H 0.138003 -2.093953 -1.127424
H 0.264234 -0.541014 -1.945350
H 3.248030 -0.362514 1.969100
H 4.411992 -1.025479 0.804973
H 3.886039 -2.006484 2.174716
H 0.865256 -3.322251 0.467550
H 1.120183 -2.663143 2.096135
H 2.288783 -3.799015 1.388562
H -0.622051 -0.979101 0.995238
H -0.352733 0.618759 0.298622
H -2.364022 -1.465359 -0.805527
H -2.103718 0.145252 -1.480530
H -3.060217 -0.428666 1.404904
H -2.793740 1.182880 0.734195
H -4.534234 0.725023 -1.058547
H -4.799730 -0.886563 -0.391042
H 2.465771 2.827311 1.688571
H 3.422173 2.782882 0.139897
H -5.230361 1.757839 1.154482
H -5.496455 0.143702 1.823051
H 1.504950 4.533961 0.036803
H 0.350577 3.210226 0.276097
H 1.348789 3.260694 -1.183246
H -7.271320 -0.292009 0.063057
H -7.653610 1.137636 1.027492
H -7.005160 1.320789 -0.605316


%chk=000228857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228857

0 1
O 2.718998 -1.957781 -0.887441
O 2.072706 1.323487 0.568167
O 3.151601 0.949409 -1.469762
C 1.818000 -0.848624 -0.409138
C 2.386645 -1.821995 0.601447
C 0.372314 -0.908816 -0.913367
C 3.576048 -1.414011 1.459024
C 1.542835 -2.950189 1.174060
C 2.442448 0.534243 -0.529362
C -0.676528 -0.344281 0.074537
C -2.109399 -0.397530 -0.501325
C -3.174991 0.141714 0.479011
C -4.610253 0.097412 -0.092135
C 2.549702 2.744841 0.552330
C -5.676887 0.631451 0.891033
C 1.601311 3.631173 -0.259694
C -7.107495 0.585296 0.311803
H 0.142969 -1.964843 -1.147452
H 0.312858 -0.362410 -1.875896
H 3.233993 -0.925953 2.389953
H 4.237652 -0.715542 0.920349
H 4.170222 -2.305385 1.730303
H 0.688029 -3.207137 0.529385
H 1.160233 -2.673962 2.174160
H 2.166137 -3.855969 1.288106
H -0.639344 -0.920751 1.020750
H -0.419227 0.699255 0.338213
H -2.359943 -1.443954 -0.775305
H -2.148678 0.187396 -1.444140
H -3.137689 -0.445646 1.420436
H -2.922741 1.186930 0.755825
H -4.650776 0.688260 -1.031226
H -4.862519 -0.946970 -0.372088
H 2.566237 3.020866 1.618699
H 3.571943 2.764324 0.135220
H -5.423696 1.674384 1.171744
H -5.636817 0.039384 1.828291
H 1.925932 4.685959 -0.188024
H 0.568889 3.562742 0.125261
H 1.609262 3.341766 -1.323689
H -7.396178 -0.450681 0.051532
H -7.850521 0.971838 1.033516
H -7.181778 1.194298 -0.609010


