%chk=000179680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179680

0 1
O 4.289380 -0.595160 0.797693
O 2.458486 -0.356295 -0.566650
O 5.039341 2.537213 -1.840531
O 4.840043 3.025608 0.934517
O 5.496942 -0.508638 -2.196641
O 3.269087 1.771081 3.340175
O -2.183474 -1.022768 0.237135
O 0.792439 -4.761070 -0.025806
O 0.942683 1.631774 0.041789
O -6.280187 2.990923 -0.997954
O -7.896922 1.475763 0.593157
C 5.091873 1.502274 -0.852007
C 4.222417 1.863397 0.367840
C 4.482976 0.267003 -1.546939
C 4.259242 0.723706 1.405992
C 3.874341 -0.730632 -0.533823
C 3.041239 0.767696 2.344109
C 1.474340 -1.241375 -0.276007
C 0.205397 -0.626737 -0.067543
C 1.640413 -2.624625 -0.237812
C -0.888576 -1.494715 0.086651
C 0.500225 -3.430849 -0.039906
C 0.027582 0.830334 0.012078
C -0.785504 -2.888193 0.112636
C -2.393860 0.364564 0.204463
C -1.386740 1.246306 0.104712
C -3.839434 0.622402 0.318636
C -4.400142 1.692791 -0.404889
C -4.635967 -0.186019 1.140092
C -0.295744 -5.706910 0.153197
C -5.765619 1.943500 -0.283446
C -6.008979 0.062570 1.266859
C -6.567741 1.123247 0.558390
H 6.158860 1.346877 -0.573462
H 3.170651 2.112979 0.058014
H 3.720618 0.589275 -2.302630
H 5.217245 0.739613 1.977971
H 4.056209 -1.800223 -0.772492
H 2.850389 -0.215430 2.805349
H 2.120073 1.119212 1.824143
H 5.100362 3.419955 -1.396749
H 4.297717 3.333954 1.707025
H 5.936067 0.040836 -2.888685
H 3.906006 1.451595 4.011672
H 2.611253 -3.097793 -0.361538
H -1.672777 -3.495744 0.239342
H -1.557510 2.324819 0.105702
H -3.793065 2.322866 -1.058129
H -4.183463 -1.017704 1.684303
H -1.008047 -5.623569 -0.672930
H -0.772322 -5.554595 1.125824
H 0.238879 -6.666129 0.119591
H -6.621384 -0.565783 1.909090
H -7.263203 3.083425 -0.837499
H -8.419013 0.883698 1.190920


%chk=000179680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179680

0 1
O 4.304838 -0.729259 0.596940
O 2.423502 -0.289099 -0.824279
O 5.587854 2.536583 -1.713066
O 5.065594 2.937506 0.995347
O 5.488028 -0.426774 -2.523409
O 3.371000 1.923574 3.127324
O -2.252836 -1.040771 0.250444
O 0.902695 -4.713722 0.382221
O 0.751112 1.806781 -0.219296
O -6.392232 3.442980 0.134972
O -8.153424 1.429651 0.490764
C 5.307848 1.397670 -0.839995
C 4.421647 1.787055 0.345335
C 4.572559 0.344271 -1.678508
C 4.350938 0.585248 1.316857
C 3.850969 -0.681497 -0.773524
C 3.161169 0.715038 2.286121
C 1.437705 -1.159062 -0.356267
C 0.137768 -0.570526 -0.167467
C 1.656259 -2.528841 -0.139187
C -0.921203 -1.475274 0.118116
C 0.565552 -3.372682 0.194945
C -0.142199 0.891697 -0.190411
C -0.744085 -2.861158 0.302449
C -2.567470 0.321582 0.092005
C -1.566750 1.240521 -0.122435
C -4.017370 0.575100 0.204156
C -4.525784 1.901845 0.119389
C -4.922982 -0.503934 0.394350
C -0.177895 -5.650074 0.710895
C -5.903592 2.138498 0.219288
C -6.310108 -0.267525 0.495134
C -6.798968 1.048083 0.407384
H 6.260060 0.970297 -0.457950
H 3.404542 2.060155 -0.003285
H 3.813866 0.871097 -2.290372
H 5.301850 0.542497 1.884131
H 4.015007 -1.697243 -1.170658
H 3.054190 -0.194602 2.907473
H 2.228766 0.909681 1.734286
H 5.775097 3.310709 -1.118876
H 4.487738 3.181992 1.769245
H 5.990321 0.216820 -3.084992
H 4.019385 1.707540 3.844691
H 2.645976 -2.981304 -0.217451
H -1.613774 -3.480077 0.529009
H -1.802204 2.302484 -0.215130
H -3.870617 2.765046 -0.022055
H -4.535542 -1.522489 0.460550
H -0.927625 -5.693887 -0.102045
H -0.670813 -5.371913 1.662075
H 0.313820 -6.627482 0.817322
H -7.001497 -1.106746 0.640158
H -7.381453 3.427118 0.223861
H -8.754129 0.657125 0.618418


