%chk=000229394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229394

0 1
O 3.198959 -0.097544 -0.449723
O 3.731704 1.083008 1.433644
C -2.419603 -0.976054 0.112716
C -3.324203 1.550230 -0.173778
C -3.171412 0.259432 0.679092
C -0.921293 -0.705540 -0.041349
C -2.549588 -2.123351 1.149507
C -3.070375 -1.457207 -1.194263
C -3.783637 2.674639 0.788724
C -4.407008 1.381950 -1.258528
C -2.007472 1.983493 -0.834210
C -0.213468 -0.130672 1.029553
C -0.212427 -1.054683 -1.202816
C 1.160329 0.106852 0.957133
C 1.160286 -0.828191 -1.306503
C 1.825323 -0.247494 -0.217562
C 4.072656 0.573208 0.400546
C 5.425989 0.519358 -0.258677
C 6.505217 0.192587 0.763726
H -4.189758 -0.070682 0.966776
H -2.680640 0.541358 1.633571
H -2.159618 -1.836028 2.130459
H -1.990109 -3.007977 0.826439
H -3.592068 -2.425738 1.284669
H -2.605627 -2.373782 -1.570875
H -4.133907 -1.674511 -1.042197
H -3.009393 -0.690814 -1.979517
H -3.034279 2.875102 1.560119
H -4.720749 2.418932 1.290672
H -3.948507 3.612869 0.249881
H -4.623507 2.334168 -1.752897
H -4.085910 0.679336 -2.037510
H -5.345115 1.007825 -0.840028
H -2.115627 2.942467 -1.350121
H -1.204613 2.096576 -0.097348
H -1.663805 1.252956 -1.573994
H -0.745684 0.144802 1.942171
H -0.726119 -1.512067 -2.048502
H 1.693764 0.559229 1.795823
H 1.713688 -1.094087 -2.203598
H 5.620075 1.504985 -0.737508
H 5.427175 -0.223113 -1.088130
H 6.388553 -0.820538 1.170148
H 7.504438 0.254726 0.315475
H 6.479167 0.889084 1.614989


%chk=000229394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229394

0 1
O 3.305111 -0.253073 -0.461591
O 3.981428 0.540847 1.653499
C -2.455965 -0.974136 0.052109
C -3.424730 1.609021 -0.180308
C -3.201610 0.284533 0.634812
C -0.929794 -0.742351 -0.080485
C -2.656869 -2.122064 1.098951
C -3.090061 -1.460048 -1.276112
C -3.806089 2.700407 0.864512
C -4.612780 1.488513 -1.176824
C -2.158773 2.085177 -0.938538
C -0.173705 -0.286766 1.032327
C -0.212799 -1.021754 -1.273283
C 1.224189 -0.098531 0.981459
C 1.183533 -0.845381 -1.353790
C 1.897728 -0.382627 -0.229651
C 4.250250 0.196423 0.484304
C 5.626722 0.186589 -0.163157
C 6.737612 0.654620 0.792828
H -4.205442 -0.065811 0.957451
H -2.673660 0.564230 1.569177
H -2.290609 -1.827630 2.099119
H -2.108179 -3.031038 0.791723
H -3.729709 -2.376708 1.189975
H -2.690671 -2.450938 -1.563465
H -4.183090 -1.563842 -1.153855
H -2.909276 -0.765132 -2.114390
H -2.966740 2.897369 1.558116
H -4.680862 2.388504 1.467359
H -4.062736 3.652303 0.362232
H -4.817054 2.471909 -1.642116
H -4.413261 0.772145 -1.990744
H -5.534512 1.164723 -0.656037
H -2.350105 3.069920 -1.407002
H -1.295202 2.192447 -0.257653
H -1.863962 1.383360 -1.738191
H -0.678929 -0.067231 1.979725
H -0.739768 -1.380781 -2.161998
H 1.773736 0.256582 1.853429
H 1.730360 -1.060796 -2.277005
H 5.579118 0.823555 -1.067323
H 5.819025 -0.838832 -0.533022
H 6.795828 0.004426 1.682361
H 7.715175 0.634728 0.279897
H 6.548932 1.682240 1.147375


