%chk=000179653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179653

0 1
O -1.370941 0.028297 -0.491957
O 4.081925 0.265220 -1.280238
C -6.241695 -0.013558 0.060372
C -3.614130 -0.628576 -0.712682
C -7.650147 0.314740 0.478525
C -2.218256 -0.963644 -1.156252
C -5.310056 1.012691 -0.159066
C -5.845280 -1.350569 -0.102846
C -4.004375 0.707674 -0.546769
C -4.537845 -1.658277 -0.482443
C -7.768603 0.374580 2.001179
C -0.017571 -0.020895 -0.729160
C 2.710365 0.139330 -1.002715
C 0.632752 -0.934491 -1.568535
C 0.687710 0.979408 -0.018182
C 2.023441 -0.854202 -1.701919
C 2.065118 1.060672 -0.159122
C 4.986302 0.054547 -0.246024
C 4.656587 -0.473357 1.006499
C 6.304233 0.400767 -0.596612
C 5.686972 -0.655904 1.934686
C 7.308027 0.205007 0.348745
C 7.004658 -0.319918 1.613438
H -7.969062 1.281861 0.037843
H -8.359431 -0.436680 0.074576
H -1.892580 -1.968582 -0.833946
H -2.099964 -0.847673 -2.250110
H -5.603860 2.052205 -0.024410
H -6.558805 -2.153355 0.073669
H -3.275686 1.503716 -0.710472
H -4.241777 -2.699374 -0.597534
H -7.496681 -0.582742 2.462226
H -8.791315 0.615257 2.311029
H -7.103619 1.137318 2.424716
H 0.087539 -1.697804 -2.113850
H 0.135955 1.665874 0.621977
H 2.567491 -1.544313 -2.345881
H 2.645099 1.821133 0.363145
H 3.633433 -0.742950 1.252805
H 6.512785 0.806605 -1.583144
H 5.454570 -1.066557 2.917237
H 8.337841 0.463923 0.102769
H 7.797277 -0.465803 2.342631


%chk=000179653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179653

0 1
O -1.357848 -0.037778 -0.261944
O 4.182377 -0.175591 -1.305666
C -6.422314 0.081821 -0.010843
C -3.700507 -0.558358 -0.628034
C -7.859492 0.417448 0.362273
C -2.278167 -0.904080 -1.019732
C -5.415666 1.082345 -0.010725
C -6.038409 -1.247215 -0.321734
C -4.074090 0.772077 -0.318137
C -4.695206 -1.565661 -0.619885
C -8.108329 0.324825 1.892436
C 0.013122 -0.141932 -0.551807
C 2.801579 -0.180188 -0.966951
C 0.577919 -1.061200 -1.470933
C 0.850577 0.759599 0.153608
C 1.976904 -1.076236 -1.672517
C 2.240969 0.747506 -0.054401
C 5.174975 -0.085170 -0.298461
C 4.977998 -0.520660 1.033560
C 6.430716 0.403757 -0.725279
C 6.057690 -0.451944 1.942917
C 7.499252 0.462605 0.194383
C 7.318808 0.039477 1.533181
H -8.107124 1.440541 0.019694
H -8.553812 -0.270482 -0.157225
H -2.061212 -1.970251 -0.802829
H -2.113882 -0.730177 -2.105729
H -5.689138 2.117768 0.228625
H -6.796823 -2.040028 -0.325269
H -3.305829 1.551465 -0.306416
H -4.422994 -2.604075 -0.848583
H -7.898981 -0.694600 2.264150
H -9.157181 0.573766 2.137903
H -7.450333 1.022741 2.441203
H -0.045375 -1.766823 -2.026835
H 0.391008 1.465659 0.851734
H 2.435101 -1.774414 -2.379215
H 2.884065 1.455781 0.477089
H 4.007977 -0.915103 1.351281
H 6.547713 0.725233 -1.764571
H 5.909818 -0.791546 2.974250
H 8.472926 0.841840 -0.135200
H 8.149618 0.088861 2.244832


