%chk=000180390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180390

0 1
O -2.492162 0.619339 0.425668
O 0.572736 1.562536 -0.636226
C 6.536275 -0.694220 0.145118
C 6.155951 0.788407 -0.080510
C 6.307177 -1.516186 -1.139428
C 7.985034 -0.812156 0.666288
C -6.493225 -2.119226 0.954082
C 4.669943 0.986003 -0.189119
C -5.736340 -0.961496 0.292565
C 6.374185 -3.021644 -0.894307
C 9.046060 -0.247608 -0.274670
C -6.779592 -3.182049 -0.125263
C -7.814896 -1.581718 1.538392
C -5.688721 -2.772909 2.092529
C 3.865760 0.946166 0.956906
C 4.071975 1.215142 -1.443702
C -4.422832 -0.644033 0.631437
C -6.388098 -0.199633 -0.703659
C -3.783158 0.428340 -0.024865
C 2.480887 1.131034 0.874741
C 2.699134 1.402170 -1.554358
C 1.915079 1.356829 -0.383775
C -5.736245 0.853295 -1.337873
C -4.415891 1.190290 -1.008976
C -1.709185 1.691580 -0.176241
C -0.346328 1.529888 0.494410
H 5.864247 -1.104914 0.941114
H 6.670148 1.171278 -0.984265
H 6.552242 1.402354 0.754350
H 7.048616 -1.227516 -1.909021
H 5.314735 -1.259502 -1.562938
H 8.203482 -1.881659 0.862436
H 8.058807 -0.307939 1.649707
H 6.184376 -3.579453 -1.818157
H 7.358881 -3.327526 -0.522513
H 5.628604 -3.344345 -0.158761
H 8.984393 -0.707666 -1.268585
H 8.939739 0.834441 -0.406645
H 10.054306 -0.433556 0.111707
H -5.850451 -3.546808 -0.577543
H -7.401160 -2.785604 -0.934580
H -7.303452 -4.045385 0.296918
H -8.475389 -1.183798 0.761249
H -7.630378 -0.774378 2.255714
H -8.366651 -2.369573 2.061079
H -5.450971 -2.053042 2.883276
H -4.747152 -3.200217 1.730509
H -6.254625 -3.588263 2.555929
H 4.319521 0.768144 1.931645
H 4.691130 1.246308 -2.340203
H -3.863183 -1.193994 1.384184
H -7.412390 -0.439709 -0.978872
H 1.878751 1.093656 1.775359
H 2.220442 1.578888 -2.514265
H -6.254911 1.429569 -2.104372
H -3.922883 2.011046 -1.513626
H -2.195679 2.654101 0.049276
H -1.639627 1.532705 -1.271005
H -0.267143 0.552953 1.011796
H -0.095500 2.356662 1.178142


%chk=000180390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180390

0 1
O -2.605541 -0.219399 0.148672
O 0.698564 0.945985 -0.866121
C 7.004060 -0.582476 0.112743
C 6.335348 0.799625 0.413604
C 7.002504 -0.883674 -1.409879
C 8.414137 -0.675606 0.763838
C -7.235213 -1.643109 1.269092
C 4.845515 0.842176 0.102878
C -6.235377 -0.899565 0.350687
C 7.532733 -2.286410 -1.779924
C 9.476579 0.290198 0.189887
C -7.979972 -2.734801 0.442534
C -8.272831 -0.622938 1.827692
C -6.537732 -2.334545 2.468130
C 3.913218 0.167883 0.930027
C 4.338455 1.539552 -1.026298
C -4.849554 -0.864148 0.616220
C -6.711127 -0.216961 -0.807643
C -3.959159 -0.171152 -0.240653
C 2.527815 0.172790 0.651702
C 2.961882 1.558878 -1.324017
C 2.052960 0.871451 -0.485254
C -5.822540 0.469853 -1.655685
C -4.433396 0.505061 -1.386804
C -1.631232 0.480622 -0.696008
C -0.278330 0.242177 -0.027645
H 6.374756 -1.359136 0.601570
H 6.857046 1.587361 -0.164084
H 6.497995 1.031304 1.486223
H 7.598306 -0.110581 -1.937429
H 5.965209 -0.778422 -1.782883
H 8.786993 -1.714612 0.671591
H 8.306474 -0.485720 1.851799
H 7.427467 -2.475617 -2.864208
H 8.601748 -2.403244 -1.523645
H 6.970288 -3.075466 -1.245008
H 9.658448 0.103186 -0.884339
H 9.172034 1.346759 0.301994
H 10.440634 0.165419 0.716553
H -7.267384 -3.477676 0.039723
H -8.529717 -2.297583 -0.409779
H -8.710532 -3.265063 1.082182
H -8.828589 -0.120222 1.016220
H -7.771350 0.158007 2.428187
H -9.007270 -1.139812 2.473829
H -6.015893 -1.605371 3.115000
H -5.803693 -3.091119 2.133921
H -7.292866 -2.851976 3.087710
H 4.272472 -0.369682 1.816800
H 5.033720 2.077751 -1.682035
H -4.420104 -1.366321 1.486798
H -7.779953 -0.222453 -1.047418
H 1.841839 -0.357054 1.319520
H 2.572769 2.096854 -2.194103
H -6.207223 0.988737 -2.541098
H -3.759063 1.045094 -2.057495
H -1.855733 1.564566 -0.740425
H -1.632716 0.068126 -1.724168
H -0.054034 -0.842051 0.012458
H -0.279449 0.649947 1.002465


