%chk=000182460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182460

0 1
O -0.584686 1.953361 -1.019136
O -0.103104 -2.752380 0.912819
O 4.579699 1.474672 0.109595
O 4.629333 -0.844585 1.372589
O 2.608490 -2.548212 2.866101
C -1.315243 -0.294931 -1.319255
C -0.774954 -1.736026 -1.177528
C -2.576314 -0.067136 -0.428047
C -1.870095 -2.820437 -1.263060
C -0.273399 0.781642 -0.933337
C -3.626074 -1.103017 -0.765385
C -1.656047 -0.024164 -2.794701
C 0.048599 -1.873577 0.094938
C -2.257749 -0.120697 1.086189
C 1.074275 0.365017 -0.432584
C -3.282269 -2.344489 -1.133930
C 1.184914 -0.888030 0.193767
C 2.194525 1.227976 -0.508381
C -5.048428 -0.654874 -0.677617
C 2.349086 -1.284992 0.866783
C -3.301823 0.590585 1.892700
C 2.174305 2.553155 -1.249142
C 3.377865 0.795376 0.105253
C 3.464194 -0.440673 0.802358
C -3.311250 1.909516 2.144848
C 2.519711 3.713074 -0.306884
C 3.120296 2.491310 -2.454273
C 2.387635 -2.556035 1.681797
C -2.264330 2.856479 1.650388
C -4.394558 2.530379 2.975694
H -0.057053 -1.920502 -2.023857
H -2.965945 0.958000 -0.664927
H -1.689661 -3.585425 -0.467253
H -1.761361 -3.361501 -2.226035
H -2.036613 0.997764 -2.932792
H -0.788164 -0.144616 -3.450152
H -2.436459 -0.711096 -3.149552
H -2.188079 -1.179596 1.418331
H -1.261434 0.317612 1.295958
H -4.030496 -3.101613 -1.362202
H -5.233830 -0.086532 0.246758
H -5.758106 -1.491361 -0.689363
H -5.304285 0.004886 -1.518252
H -4.082003 -0.059831 2.285414
H 1.136983 2.755777 -1.641962
H 1.848903 3.724609 0.563306
H 3.553944 3.667771 0.067914
H 2.401444 4.677919 -0.815956
H 3.126344 3.443132 -2.998246
H 4.155378 2.264782 -2.172021
H 2.806536 1.714699 -3.162683
H 2.190582 -3.472592 1.105410
H 4.440948 2.456148 -0.086856
H -1.981960 2.655698 0.602602
H -1.346020 2.767249 2.247525
H -2.582422 3.904074 1.696281
H -4.983972 3.243833 2.384328
H -3.971118 3.081335 3.826713
H -5.093922 1.791913 3.386739
H 5.332142 -0.124923 1.310471


%chk=000182460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182460

0 1
O -0.452981 1.909494 -1.304250
O -0.035051 -2.922206 0.832803
O 4.633170 1.404476 0.247913
O 4.653503 -0.886687 1.482663
O 2.906669 -2.933211 2.649489
C -1.298161 -0.350527 -1.400691
C -0.828323 -1.829801 -1.224075
C -2.519179 -0.017544 -0.452097
C -1.981298 -2.868624 -1.260642
C -0.179356 0.678893 -1.116848
C -3.646060 -1.027902 -0.655215
C -1.729975 -0.127576 -2.882154
C 0.087547 -1.983667 -0.010253
C -2.103333 0.088240 1.063269
C 1.155057 0.245035 -0.594234
C -3.365383 -2.316594 -0.987794
C 1.233149 -1.028517 0.062132
C 2.297785 1.122769 -0.601549
C -5.068896 -0.530321 -0.491752
C 2.384800 -1.434274 0.795328
C -3.169906 0.679165 1.969750
C 2.331852 2.473682 -1.334752
C 3.429854 0.686296 0.117223
C 3.484674 -0.549092 0.828541
C -3.384457 2.006624 2.207369
C 2.145456 3.650253 -0.335180
C 3.582773 2.685481 -2.243965
C 2.483077 -2.779576 1.480002
C -2.578306 3.126508 1.571229
C -4.481145 2.464503 3.155292
H -0.153633 -2.035816 -2.084985
H -2.870905 0.988582 -0.756061
H -1.745678 -3.664158 -0.524837
H -1.995346 -3.367795 -2.250588
H -2.034680 0.921629 -3.032400
H -0.897612 -0.349048 -3.576799
H -2.577892 -0.786452 -3.132048
H -1.844091 -0.919441 1.434682
H -1.187982 0.706372 1.132588
H -4.192695 -3.030443 -1.110401
H -5.215748 -0.039036 0.487554
H -5.800645 -1.352119 -0.588212
H -5.306217 0.232691 -1.260480
H -3.816076 -0.044299 2.488461
H 1.453433 2.498214 -1.994882
H 1.167275 3.567174 0.166815
H 2.934291 3.668568 0.441667
H 2.172121 4.615056 -0.874144
H 3.316061 3.381993 -3.058637
H 4.443147 3.173555 -1.733890
H 3.936272 1.746410 -2.705700
H 2.220698 -3.651906 0.839034
H 4.649146 2.214077 -0.318478
H -1.823596 2.769833 0.851750
H -2.062034 3.724122 2.349463
H -3.248243 3.826388 1.032546
H -5.215433 3.111264 2.634052
H -4.061941 3.069054 3.984488
H -5.026099 1.611448 3.595884
H 5.309449 -0.145315 1.364207


