%chk=000194730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194730

0 1
O 0.526793 -0.012840 0.013841
O -3.184003 1.202852 -0.364159
O 2.494618 0.245860 1.162407
O -0.269065 2.724120 1.139055
O -3.802529 -0.932339 -0.743678
O 2.037667 -3.007632 0.466330
O 3.692741 -2.229123 -1.908782
O 5.239325 0.075878 -0.981476
O -3.987820 4.009448 0.013832
O 2.172549 2.936708 0.614400
O 2.424708 2.403614 -1.545890
O -0.574862 -3.226012 -0.110370
N -1.728349 -1.822384 1.276745
C -0.671188 0.349021 0.746277
C -1.734769 -0.693609 0.320747
C -0.929073 1.794108 0.269105
C -2.417123 2.188955 0.356545
C -3.170685 -0.115020 0.225492
C 1.541156 -0.722306 0.724380
C 2.074475 -1.781414 -0.268948
C 3.541016 -1.534866 -0.663298
C 3.809633 -0.039116 -0.945087
C 3.320479 0.886191 0.193003
C -2.712188 3.503793 -0.383093
C 2.596310 2.104788 -0.389570
C -1.186358 -3.071155 0.934632
C -5.178734 -0.587956 -1.030737
C -1.374923 -4.145428 1.964134
H -0.481946 0.327161 1.842488
H -1.441786 -1.080702 -0.710586
H -0.516384 1.930144 -0.761193
H -2.764468 2.243323 1.412270
H -3.735216 -0.079190 1.177003
H 1.198221 -1.158629 1.688193
H 1.420373 -1.847614 -1.175219
H 4.246170 -1.944428 0.095177
H 3.375473 0.247080 -1.935330
H 4.187669 1.227343 0.824933
H -2.257460 -1.702650 2.134663
H -2.684780 3.368403 -1.479809
H -2.005789 4.299598 -0.067438
H 0.592042 2.343943 1.479493
H 1.380940 -3.626610 0.037384
H 4.648865 -2.352958 -2.104543
H 5.512894 0.724413 -1.665599
H -5.433579 -1.308695 -1.818502
H -5.236885 0.438338 -1.407541
H -5.799849 -0.731097 -0.143877
H -4.694711 3.397516 -0.288971
H -2.430510 -4.324772 2.207577
H -0.841309 -3.926649 2.900037
H -0.970294 -5.102018 1.588692
H 1.636017 3.717414 0.273661


%chk=000194730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194730

0 1
O 0.399510 -0.084853 -0.322760
O -3.509737 1.144598 -0.409515
O 2.276469 0.385000 1.116827
O -0.313110 2.759787 0.509469
O -4.320236 -1.051472 -0.107270
O 1.837452 -3.048665 -0.039980
O 4.288487 -2.353794 -1.467818
O 5.520059 0.010906 -0.735057
O -4.388634 3.830448 -0.307916
O 2.416235 2.983405 0.262741
O 4.609074 2.773297 -0.443888
O -0.814892 -3.244166 -0.665634
N -1.796367 -1.902984 0.959239
C -0.835085 0.346183 0.383587
C -1.953267 -0.705708 0.114847
C -1.144796 1.764469 -0.150344
C -2.598172 2.187830 0.121511
C -3.360985 -0.103925 0.349463
C 1.457387 -0.677307 0.473581
C 2.194331 -1.703779 -0.448785
C 3.716043 -1.548547 -0.396162
C 4.063102 -0.072569 -0.643828
C 3.546585 0.804691 0.534190
C -2.993227 3.485965 -0.586082
C 3.587470 2.262772 0.079369
C -1.300314 -3.108851 0.506178
C -5.717782 -0.659563 0.146349
C -1.310572 -4.255787 1.505568
H -0.634822 0.425211 1.472944
H -1.886695 -1.027217 -0.939671
H -0.967848 1.744642 -1.248184
H -2.756706 2.298860 1.216599
H -3.519449 0.143338 1.435576
H 1.044336 -1.210554 1.348131
H 1.873667 -1.500827 -1.490605
H 4.105657 -1.864496 0.595452
H 3.597808 0.245142 -1.601354
H 4.305334 0.712949 1.339255
H -2.217140 -1.878798 1.891032
H -2.815927 3.376936 -1.677512
H -2.384617 4.316058 -0.198629
H 0.651209 2.502407 0.467154
H 0.983802 -3.311507 -0.498062
H 5.244370 -2.091507 -1.541666
H 5.767609 0.955855 -0.924910
H -6.323017 -1.532600 -0.138591
H -5.996268 0.213397 -0.468721
H -5.875566 -0.424509 1.219340
H -4.936234 3.043495 -0.563916
H -1.824073 -4.017776 2.453027
H -0.266308 -4.540839 1.726464
H -1.798670 -5.129675 1.042557
H 2.528017 3.917433 -0.064792


