%chk=000239104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239104

0 1
O -0.441788 -0.086323 0.200843
O 5.076245 -0.074077 0.141986
O -0.978036 1.243604 -1.573995
C 3.022184 1.018117 -0.610920
C 3.011015 -1.029032 0.780608
C 3.696185 -0.001727 0.086304
C 0.951238 0.008111 0.070724
C 1.619051 1.019650 -0.614214
C 1.615786 -1.016775 0.764207
C 3.775006 2.082849 -1.337094
C 3.761949 -2.091498 1.506672
C -2.718103 0.222093 -0.231615
C -1.335928 0.550796 -0.654659
C -3.775580 0.693628 -1.028173
C -2.981284 -0.530184 0.922844
C -5.093214 0.409131 -0.665900
C -4.302993 -0.809824 1.278709
C -5.356347 -0.341527 0.485992
H 1.069249 1.792849 -1.155605
H 1.039918 -1.782940 1.278839
H 3.533663 3.080770 -0.939903
H 4.866347 1.956985 -1.266407
H 3.515157 2.091197 -2.407301
H 3.486734 -3.094232 1.151770
H 4.851795 -1.986362 1.373159
H 3.563952 -2.053533 2.587096
H -3.557225 1.280073 -1.924955
H -2.150516 -0.891720 1.535116
H 5.487309 0.671270 -0.376114
H -5.916097 0.772178 -1.280456
H -4.511857 -1.393223 2.174510
H -6.386813 -0.561828 0.766334


%chk=000239104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239104

0 1
O -0.455745 -0.133149 0.159705
O 5.168476 -0.045448 0.150610
O -1.096707 1.613764 -1.282989
C 3.072391 0.948728 -0.714072
C 3.071013 -0.949940 0.891317
C 3.758698 0.003342 0.092609
C 0.965087 -0.000570 0.065094
C 1.656626 0.943296 -0.725704
C 1.662347 -0.934881 0.862812
C 3.848859 1.950966 -1.551665
C 3.847200 -1.937904 1.735123
C -2.785330 0.250987 -0.173938
C -1.393468 0.671006 -0.509285
C -3.851672 0.975622 -0.769333
C -3.069022 -0.828451 0.703617
C -5.187688 0.624850 -0.489558
C -4.408040 -1.175609 0.980211
C -5.468982 -0.451552 0.385776
H 1.107113 1.659641 -1.336877
H 1.090765 -1.651051 1.461179
H 4.484707 2.613096 -0.929050
H 4.502593 1.455715 -2.298627
H 3.160149 2.603148 -2.112114
H 3.168447 -2.612535 2.283295
H 4.523178 -2.548655 1.109180
H 4.491324 -1.415188 2.465858
H -3.609169 1.803867 -1.443250
H -2.241445 -1.379959 1.157072
H 5.566912 0.641899 -0.438898
H -6.007648 1.186226 -0.950179
H -4.626115 -2.008515 1.657400
H -6.507850 -0.724250 0.603085


