%chk=000187117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187117

0 1
O -3.690823 -0.850005 -1.874500
O -1.922177 -2.245759 0.908627
O -3.976328 -0.236940 1.745199
O -3.497585 1.837795 -1.213156
C -3.551280 -1.131278 -0.470170
C -2.047589 -1.457916 -0.295634
C -3.999440 0.087844 0.362679
C -1.127084 -0.276550 -0.076180
C -3.109438 1.318420 0.061851
C -1.628949 1.009093 0.069054
C 0.285996 -0.499474 -0.042216
C 1.165518 0.603988 0.075277
C -0.742593 2.107733 0.198430
C 0.620224 1.910537 0.192787
C 2.607522 0.387810 0.074018
C 0.847547 -1.833190 -0.115024
C 3.112087 -0.929556 -0.024271
C 2.188448 -2.038646 -0.108556
C 3.530811 1.464869 0.165990
C 4.515670 -1.150796 -0.031952
C 4.891977 1.233312 0.157389
C 5.390722 -0.086904 0.057035
H -4.170703 -2.019881 -0.212450
H -1.708482 -2.057157 -1.177071
H -5.069439 0.343673 0.176321
H -3.362210 2.148522 0.766003
H -1.156356 3.113743 0.288195
H 1.296774 2.763442 0.281845
H 0.159361 -2.679516 -0.144666
H -4.640079 -0.754214 -2.108871
H -2.359193 -3.116037 0.804870
H -3.085501 -0.600656 2.003870
H -3.235903 1.197283 -1.929997
H 2.604358 -3.044909 -0.159416
H 3.150816 2.484973 0.243204
H 4.890469 -2.170465 -0.108641
H 5.593923 2.062931 0.227533
H 6.467129 -0.251019 0.051391


%chk=000187117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187117

0 1
O -3.500935 -0.764560 -1.979742
O -2.086521 -2.163118 1.175442
O -4.109711 -0.323189 1.731594
O -3.524593 1.989011 -1.172963
C -3.524177 -1.110236 -0.537047
C -2.071336 -1.477254 -0.161958
C -4.042630 0.067290 0.319940
C -1.140395 -0.286222 -0.019397
C -3.157352 1.314939 0.097251
C -1.663161 1.014750 0.115270
C 0.287060 -0.497695 -0.024095
C 1.183037 0.628687 0.072700
C -0.768248 2.118548 0.221520
C 0.613300 1.934051 0.194506
C 2.632842 0.412321 0.050527
C 0.849129 -1.828987 -0.109813
C 3.142097 -0.932691 -0.052794
C 2.214578 -2.036011 -0.125107
C 3.580336 1.480728 0.126004
C 4.552650 -1.162643 -0.074868
C 4.960121 1.235716 0.102059
C 5.455359 -0.096551 0.001215
H -4.167935 -2.000035 -0.370810
H -1.695166 -2.177150 -0.932706
H -5.077840 0.329590 0.036818
H -3.408681 2.053599 0.876058
H -1.190237 3.125467 0.309257
H 1.261866 2.810786 0.276492
H 0.178116 -2.691380 -0.131062
H -4.429246 -0.776997 -2.325515
H -2.487717 -3.066216 1.077716
H -3.309327 -0.888150 1.939378
H -3.287006 1.345774 -1.896738
H 2.619445 -3.053337 -0.185117
H 3.235269 2.516040 0.202255
H 4.917319 -2.193864 -0.152120
H 5.662842 2.074141 0.160830
H 6.535046 -0.280051 -0.016183


