%chk=000186088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186088

0 1
O 0.654198 1.939458 -0.188312
O 1.731551 -1.941258 0.797018
O -0.193710 -2.388705 1.745705
C -1.361578 0.299919 1.167870
C -1.351890 1.841396 1.276658
C -0.722885 2.467673 0.037309
C 0.022031 -0.169165 0.800673
C 0.913800 0.663833 0.170324
C -2.431267 -0.153239 0.189747
C -0.482189 3.960275 0.146104
C 2.254943 0.222210 -0.165169
C 0.384799 -1.512056 1.167371
C 2.599513 -1.104404 0.173666
C -3.752827 -0.278422 0.649610
C -2.141532 -0.431396 -1.152434
C 3.222548 1.028578 -0.807343
C 3.877574 -1.633948 -0.119187
C -4.767805 -0.672045 -0.225079
C -3.160425 -0.826718 -2.025097
C 4.476002 0.515664 -1.094607
C -4.474788 -0.945244 -1.565635
C 4.799760 -0.817068 -0.749465
H -1.610266 -0.123637 2.180491
H -2.382071 2.224872 1.410971
H -0.795820 2.138955 2.188336
H -1.266373 2.186899 -0.893737
H 0.097692 4.331115 -0.711622
H -1.427223 4.516181 0.175232
H 0.090678 4.222123 1.045923
H -3.989718 -0.079643 1.693125
H -1.118847 -0.356712 -1.519106
H 2.956098 2.055725 -1.067650
H 4.101017 -2.663277 0.158045
H -5.788980 -0.771860 0.139099
H -2.925554 -1.047670 -3.065091
H 5.223263 1.133241 -1.588659
H -5.265887 -1.255028 -2.244923
H 5.794168 -1.200821 -0.986460


%chk=000186088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186088

0 1
O 0.722462 1.981198 -0.150061
O 1.746029 -2.006763 0.752353
O -0.333689 -2.402154 1.661528
C -1.338025 0.284724 1.149116
C -1.313158 1.837423 1.279237
C -0.689159 2.485212 0.035945
C 0.051847 -0.190008 0.762176
C 0.981463 0.659859 0.173561
C -2.448249 -0.176098 0.189985
C -0.570545 4.005342 0.094597
C 2.331666 0.212446 -0.144276
C 0.401164 -1.565270 1.097811
C 2.665812 -1.137184 0.159257
C -3.778057 -0.271133 0.675215
C -2.202768 -0.466806 -1.174798
C 3.315685 1.043292 -0.745438
C 3.947110 -1.656292 -0.126177
C -4.838625 -0.635456 -0.181675
C -3.261919 -0.835503 -2.036190
C 4.594360 0.534475 -1.030260
C -4.584031 -0.916796 -1.544850
C 4.908389 -0.816758 -0.720126
H -1.570501 -0.144127 2.142696
H -2.340618 2.224647 1.402668
H -0.729134 2.132032 2.172621
H -1.241612 2.168325 -0.870321
H -0.039309 4.388315 -0.793441
H -1.576625 4.460885 0.119213
H -0.018282 4.322459 0.996458
H -3.979938 -0.073506 1.735899
H -1.177586 -0.431157 -1.561595
H 3.052746 2.078748 -0.979133
H 4.161855 -2.699372 0.122768
H -5.858188 -0.711559 0.212950
H -3.052752 -1.066517 -3.086902
H 5.349317 1.178330 -1.492545
H -5.404108 -1.207269 -2.210909
H 5.904971 -1.212184 -0.943658


