%chk=000112755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112755

0 1
O -2.350586 0.173053 -0.608735
O -2.872179 -0.047673 1.583862
C 1.225280 -1.047286 -0.007775
C 2.400150 -0.379810 0.762099
C -0.056762 -0.188622 0.109647
C 2.905287 1.036249 0.406493
C 0.981203 -2.422141 0.661225
C 1.579468 -1.284189 -1.485462
C -1.293883 -0.835236 -0.496914
C 3.419327 1.163192 -1.031237
C 1.891244 2.144067 0.714488
C -3.071426 0.488884 0.519424
C -4.072676 1.537136 0.174097
H 2.129941 -0.368542 1.838612
H 3.271556 -1.062744 0.685638
H -0.253420 0.040202 1.177869
H 0.115543 0.798130 -0.377040
H 3.787753 1.209192 1.084018
H 1.896574 -3.020967 0.694077
H 0.236181 -3.011564 0.119298
H 0.621464 -2.311165 1.689590
H 0.827530 -1.894682 -1.993436
H 2.539925 -1.799545 -1.586726
H 1.659276 -0.333875 -2.032319
H -1.167878 -1.124066 -1.555422
H -1.675984 -1.679865 0.101414
H 2.607159 1.040908 -1.762143
H 3.872138 2.144615 -1.205253
H 4.175759 0.403729 -1.253657
H 1.034842 2.111051 0.024813
H 2.347148 3.134880 0.619404
H 1.496655 2.057170 1.732006
H -5.093873 1.184408 0.386876
H -4.029232 1.826299 -0.887827
H -3.910503 2.443504 0.777796


%chk=000112755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112755

0 1
O -2.361273 0.217641 -0.739645
O -2.968480 -0.128446 1.488949
C 1.249137 -1.097743 -0.038362
C 2.454797 -0.398956 0.691367
C 0.003498 -0.157387 -0.086166
C 2.936562 1.056844 0.375859
C 0.920759 -2.370353 0.799943
C 1.648588 -1.556436 -1.471012
C -1.285284 -0.816767 -0.600964
C 3.193695 1.366411 -1.119640
C 2.071100 2.168636 1.026185
C -3.128550 0.473421 0.401226
C -4.155735 1.552522 0.130184
H 2.234771 -0.422769 1.780154
H 3.326337 -1.072836 0.545671
H -0.191966 0.233173 0.930760
H 0.222900 0.707959 -0.739087
H 3.927174 1.117862 0.879074
H 1.837776 -2.965705 0.970065
H 0.193149 -3.025219 0.285654
H 0.500707 -2.101680 1.787411
H 0.873164 -2.208846 -1.914918
H 2.587694 -2.140362 -1.439628
H 1.802397 -0.704134 -2.153318
H -1.179677 -1.212513 -1.623282
H -1.648506 -1.602015 0.083439
H 2.251115 1.441695 -1.692531
H 3.717652 2.335690 -1.221907
H 3.821352 0.589744 -1.594039
H 1.085717 2.271753 0.540912
H 2.583468 3.146445 0.947244
H 1.899888 1.963389 2.099670
H -5.162380 1.167643 0.367849
H -4.120145 1.884944 -0.917035
H -3.968402 2.411091 0.798719


