%chk=000180384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180384

0 1
O -0.811855 -0.280553 -0.480580
O -3.912049 -0.146089 0.845180
C 5.545226 0.129660 0.336755
C 4.589459 1.322895 0.099630
C 6.910877 0.621425 0.863638
C 5.682745 -0.719780 -0.943021
C 3.154504 0.890791 -0.015169
C 7.650579 1.568599 -0.077383
C 6.361933 -2.063045 -0.687387
C 2.522204 0.848300 -1.273094
C 2.431178 0.529862 1.128633
C 1.194558 0.453431 -1.389442
C 1.093518 0.127624 1.040692
C 0.492303 0.094863 -0.221126
C -1.647314 -0.666725 0.649096
C -3.005806 -0.908339 -0.006062
C -5.240205 -0.077336 0.481118
C -5.806178 -0.691688 -0.641223
C -6.007108 0.693649 1.379979
C -7.179122 -0.524311 -0.863098
C -7.367322 0.840057 1.131429
C -7.958489 0.232903 0.012028
H 5.097324 -0.517462 1.133269
H 4.905646 1.879346 -0.804931
H 4.692886 2.049860 0.931484
H 7.549409 -0.262088 1.067774
H 6.764559 1.115950 1.843892
H 6.244771 -0.155008 -1.711546
H 4.675473 -0.895947 -1.372372
H 7.789580 1.119731 -1.068575
H 7.108924 2.510344 -0.216517
H 8.643713 1.816190 0.313605
H 7.382957 -1.934377 -0.309832
H 5.811097 -2.660566 0.047751
H 6.424755 -2.653729 -1.608124
H 3.078277 1.128866 -2.167608
H 2.911941 0.560662 2.106227
H 0.689867 0.417115 -2.351605
H 0.553463 -0.144684 1.940294
H -1.219729 -1.570086 1.113079
H -1.696176 0.165645 1.379473
H -3.032126 -0.501961 -1.036990
H -3.315549 -1.965601 0.006746
H -5.215091 -1.280929 -1.332202
H -5.525634 1.154950 2.238072
H -7.638666 -0.994258 -1.732784
H -7.980112 1.431954 1.811563
H -9.022696 0.355693 -0.170240


%chk=000180384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180384

0 1
O -0.831961 0.433014 -0.810697
O -4.035559 -0.026549 0.871241
C 5.609081 0.071349 0.435136
C 4.822296 1.344598 -0.019540
C 7.033775 0.444631 0.938549
C 5.610559 -1.014774 -0.673950
C 3.328999 1.115791 -0.206879
C 7.988729 1.015908 -0.135122
C 6.260472 -2.351234 -0.253236
C 2.749497 1.000305 -1.499150
C 2.467037 0.997428 0.911406
C 1.370350 0.772690 -1.670881
C 1.080011 0.769113 0.764286
C 0.532225 0.655793 -0.536798
C -1.741360 0.315196 0.334282
C -3.124138 0.087137 -0.273972
C -5.400069 -0.239320 0.601239
C -5.947129 -0.355043 -0.700522
C -6.233967 -0.336084 1.742682
C -7.338190 -0.569127 -0.846465
C -7.616641 -0.549309 1.579164
C -8.178699 -0.667331 0.283527
H 5.062712 -0.351730 1.307338
H 5.259636 1.722482 -0.964194
H 4.983043 2.133891 0.742999
H 7.500382 -0.451116 1.393306
H 6.930014 1.185140 1.758406
H 6.123512 -0.619705 -1.574989
H 4.562329 -1.204440 -0.976353
H 8.171263 0.287102 -0.945887
H 7.584700 1.936946 -0.593388
H 8.968293 1.269177 0.310497
H 7.340827 -2.239277 -0.046996
H 5.783685 -2.752407 0.661595
H 6.151185 -3.111147 -1.048967
H 3.389661 1.094138 -2.384771
H 2.883026 1.092966 1.922432
H 0.924736 0.686512 -2.666811
H 0.449367 0.689910 1.655055
H -1.456305 -0.540158 0.978112
H -1.734642 1.242670 0.940252
H -3.407946 0.941699 -0.919092
H -3.132522 -0.841755 -0.877483
H -5.315513 -0.282273 -1.590901
H -5.781464 -0.242004 2.734770
H -7.761077 -0.658855 -1.853522
H -8.257742 -0.623280 2.464660
H -9.253978 -0.832863 0.160130


