%chk=000198388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198388

0 1
O -2.095638 -1.096500 0.020657
O -1.610918 0.862393 1.146833
O -1.614559 0.827574 -1.165517
C 0.211328 -0.290388 0.004876
C 1.684930 -0.698776 0.008751
C -0.710069 -1.537628 0.025631
C -0.189260 0.562164 1.232226
C -0.193381 0.523946 -1.246825
C -2.235645 0.313939 -0.000367
C 2.659331 0.487399 -0.011252
C 4.110461 0.013624 -0.006345
H 1.888094 -1.353893 -0.863555
H 1.891011 -1.326548 0.900268
H -0.605749 -2.171044 -0.870276
H -0.603140 -2.142770 0.940575
H -0.061115 0.033461 2.190469
H 0.309426 1.544674 1.263600
H 0.305584 1.504747 -1.310524
H -0.068970 -0.034314 -2.188661
H -3.300109 0.578379 -0.002673
H 2.480774 1.144037 0.863247
H 2.477825 1.116628 -0.905086
H 4.342993 -0.579855 0.885542
H 4.340523 -0.605609 -0.881200
H 4.802972 0.864059 -0.019694


%chk=000198388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198388

0 1
O -2.153435 -1.162347 0.020396
O -1.692005 0.877838 1.190968
O -1.695310 0.844194 -1.207914
C 0.174230 -0.259686 0.004510
C 1.670290 -0.659728 0.008566
C -0.709839 -1.537337 0.024827
C -0.227445 0.586928 1.240941
C -0.231212 0.550429 -1.254673
C -2.283924 0.286671 0.000386
C 2.695467 0.501586 -0.013924
C 4.147500 -0.023048 -0.005449
H 1.859389 -1.315303 -0.867552
H 1.862791 -1.284231 0.906313
H -0.519535 -2.162290 -0.868831
H -0.517903 -2.135164 0.936544
H -0.022669 0.039951 2.181405
H 0.299115 1.558309 1.259975
H 0.295961 1.520372 -1.303826
H -0.030228 -0.024041 -2.179427
H -3.350673 0.529708 -0.001589
H 2.541413 1.161527 0.861956
H 2.539355 1.128299 -0.913450
H 4.345271 -0.630193 0.898171
H 4.344835 -0.660932 -0.887716
H 4.875260 0.808187 -0.019906


