%chk=000216328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216328

0 1
O 2.517925 1.490228 0.041750
O 3.781173 0.524209 1.679822
O -0.381079 -2.351005 -0.167187
O 2.174946 -2.599346 -0.301058
O -2.987051 -2.012174 -0.163583
O -4.634087 2.357244 -0.095965
C 3.715748 0.676799 0.274670
C 3.652991 -0.735334 -0.290132
C 1.140334 -0.510430 -0.092950
C 1.281187 0.904655 0.013832
C 2.289558 -1.374980 -0.215851
C -1.327151 -0.193504 -0.021769
C -0.174025 -1.033484 -0.094782
C -1.119290 1.233161 0.014973
C 0.203824 1.759726 0.059602
C 4.826430 1.560603 -0.260624
C -2.679749 -0.668734 -0.051400
C -2.233778 2.108118 0.000953
C -3.765054 0.185263 -0.078639
C -3.514086 1.578586 -0.062473
C -2.787946 -2.812055 1.032194
H 4.384373 -1.377597 0.262501
H 3.998882 -0.760216 -1.347537
H 0.355628 2.833811 0.122398
H 5.807834 1.213968 0.089896
H 4.840878 1.586131 -1.358176
H 4.704455 2.603878 0.067699
H -2.063591 3.178627 0.028931
H 3.625068 1.373453 2.149900
H -4.785076 -0.191535 -0.120474
H 0.518802 -2.906999 -0.258480
H -4.423345 3.327568 -0.079244
H -1.767893 -2.713037 1.416072
H -2.965389 -3.826422 0.653113
H -3.535346 -2.521776 1.775917


%chk=000216328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216328

0 1
O 2.563013 1.558983 -0.143534
O 3.632394 0.426392 1.689624
O -0.277851 -2.408164 -0.158391
O 2.197252 -2.618249 -0.348860
O -3.063993 -2.064382 -0.081752
O -4.715678 2.387173 -0.110936
C 3.724324 0.702526 0.267218
C 3.663723 -0.670548 -0.418518
C 1.143247 -0.470742 -0.154980
C 1.288584 0.960238 -0.099694
C 2.300865 -1.323702 -0.286455
C -1.347255 -0.218039 -0.040216
C -0.172748 -1.047820 -0.110705
C -1.145213 1.225985 -0.047619
C 0.180514 1.785613 -0.051026
C 4.949789 1.540990 -0.089889
C -2.713925 -0.706886 -0.034368
C -2.268258 2.104548 -0.060011
C -3.793296 0.182501 -0.068460
C -3.568928 1.584261 -0.084447
C -2.850307 -2.863044 1.142104
H 4.425229 -1.337651 0.017144
H 3.890207 -0.551888 -1.495378
H 0.314101 2.870786 -0.025164
H 5.868230 1.008428 0.209166
H 4.984459 1.743645 -1.172866
H 4.913484 2.512281 0.435718
H -2.094907 3.187886 -0.066882
H 3.677222 1.281602 2.189923
H -4.812743 -0.209102 -0.081222
H 0.706264 -2.793552 -0.250213
H -4.477761 3.347937 -0.115157
H -1.777880 -2.935590 1.385682
H -3.244145 -3.861702 0.900958
H -3.421912 -2.423316 1.983105


