%chk=000114778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114778

0 1
O -4.666634 -1.320883 0.078675
O -5.389094 1.393451 -0.093808
O 5.087784 0.703902 0.033570
C -1.236149 -0.885470 -0.219391
C -0.517229 0.464336 -0.546157
C -2.966392 0.121050 1.091060
C -1.804984 -0.881623 1.222974
C -2.537427 -0.972829 -1.086075
C 0.921868 0.587410 0.043821
C -3.656787 -0.332962 -0.231171
C -0.339707 -2.108565 -0.481052
C -1.416127 1.681206 -0.216500
C -2.366651 1.530660 0.982368
C 1.713395 -0.697124 -0.403338
C 1.054760 -1.966867 0.139934
C 0.943855 0.765161 1.570549
C -4.484510 0.726116 -0.980117
C 1.632189 1.831165 -0.506614
C 3.160520 -0.530864 -0.083956
C 2.973837 1.923868 -0.567067
C 3.715736 0.733138 -0.220288
C 4.232685 -1.413448 0.274032
C 5.365970 -0.638419 0.336795
H -0.375618 0.473433 -1.660384
H -3.680752 0.071982 1.936449
H -1.054373 -0.570617 1.972455
H -2.147391 -1.879824 1.532277
H -2.416662 -0.477238 -2.059519
H -2.797359 -2.018720 -1.321491
H -0.240504 -2.268354 -1.573232
H -0.827710 -3.022950 -0.093889
H -2.027841 1.906194 -1.116522
H -0.788066 2.580763 -0.060848
H -1.832317 1.767038 1.922129
H -3.186078 2.275645 0.902403
H 1.656818 -0.742134 -1.529632
H 0.995393 -1.937694 1.243790
H 1.671834 -2.851833 -0.105730
H 1.969650 0.735289 1.958154
H 0.503169 1.721714 1.870197
H 0.378090 -0.029755 2.079151
H -5.065044 0.257715 -1.797315
H -3.854091 1.545131 -1.377099
H 0.988055 2.666387 -0.772500
H -4.299227 -2.051072 0.608697
H 3.515978 2.812331 -0.875973
H 4.146788 -2.466248 0.455461
H -5.946562 0.718595 0.362053
H 6.395507 -0.804787 0.557177


%chk=000114778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114778

0 1
O -4.682272 -1.426671 0.095711
O -5.758435 1.075095 -0.080191
O 5.198518 0.604960 -0.024235
C -1.251801 -0.831978 -0.221680
C -0.484031 0.515796 -0.508528
C -3.034443 0.170235 1.068419
C -1.875136 -0.846990 1.210148
C -2.549510 -0.861265 -1.113678
C 0.978475 0.612990 0.079757
C -3.724661 -0.321332 -0.241305
C -0.355688 -2.062769 -0.510330
C -1.405603 1.746457 -0.207233
C -2.410287 1.585136 0.968770
C 1.744226 -0.696880 -0.346119
C 1.039437 -1.974976 0.145682
C 1.042257 0.837900 1.623893
C -4.652634 0.675115 -0.951629
C 1.715743 1.821239 -0.545210
C 3.217594 -0.564252 -0.026947
C 3.085455 1.867224 -0.631174
C 3.807084 0.679566 -0.230917
C 4.279610 -1.475538 0.320467
C 5.459059 -0.738487 0.320395
H -0.315059 0.516146 -1.609246
H -3.751933 0.148533 1.908089
H -1.181672 -0.570087 2.017152
H -2.243735 -1.870236 1.441524
H -2.416045 -0.264200 -2.035783
H -2.790000 -1.893383 -1.430918
H -0.216746 -2.158129 -1.608221
H -0.885512 -2.978683 -0.178790
H -1.981907 1.968147 -1.126131
H -0.793468 2.650069 -0.025814
H -1.901449 1.782864 1.932620
H -3.208757 2.344797 0.873838
H 1.680837 -0.720284 -1.462696
H 0.959060 -1.983150 1.249803
H 1.638496 -2.863271 -0.135349
H 2.086718 1.014083 1.934170
H 0.451098 1.724200 1.913402
H 0.669939 -0.026902 2.197581
H -5.033523 0.201016 -1.881664
H -4.122194 1.602105 -1.218589
H 1.127469 2.697748 -0.841422
H -4.240851 -2.054191 0.721027
H 3.619980 2.751962 -0.991041
H 4.195815 -2.537675 0.544242
H -6.125538 0.226059 0.284434
H 6.498619 -0.974711 0.528220


