%chk=000227896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227896

0 1
O -1.775224 0.004350 0.012950
O -3.138727 -0.014324 -1.783672
C 3.096877 0.004704 0.288439
C 1.902122 -0.002505 -0.674637
C 4.429242 -0.001434 -0.473033
C 0.573857 0.003645 0.089828
C -4.076050 0.008493 0.507014
C 5.624142 0.005919 0.489618
C -0.607370 -0.004118 -0.873973
C -4.931406 -1.266530 0.382681
C -4.932310 1.280141 0.356985
C 6.958155 -0.000067 -0.270240
C -3.017466 -0.002110 -0.581227
C -4.141746 -2.524645 0.727851
C -4.143551 2.545523 0.676712
C 8.151116 0.007222 0.683041
H 3.044462 0.892805 0.947767
H 3.044133 -0.873086 0.961406
H 1.956329 -0.891566 -1.333262
H 1.956652 0.876275 -1.346892
H 4.483018 0.876303 -1.145747
H 4.482767 -0.889595 -1.131942
H 0.507493 -0.871486 0.767394
H 0.507472 0.889617 0.753171
H -3.569212 0.018764 1.507095
H 5.572864 -0.871258 1.162901
H 5.573008 0.893414 1.149254
H -0.663350 -0.910897 -1.498988
H -0.662418 0.891719 -1.514639
H -5.339268 -1.345381 -0.647001
H -5.810639 -1.181351 1.051867
H -5.811494 1.207852 1.027751
H -5.340212 1.337917 -0.674078
H 7.012232 0.878345 -0.942793
H 7.012095 -0.888795 -0.929111
H -3.285868 -2.665798 0.055631
H -4.769572 -3.419612 0.644311
H -3.748833 -2.493016 1.750866
H -3.750646 2.534820 1.700163
H -3.287752 2.673690 0.001797
H -4.772007 3.438178 0.575121
H 8.149502 0.895292 1.325210
H 9.098223 0.002876 0.132019
H 8.149358 -0.870791 1.338892


%chk=000227896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227896

0 1
O -1.811910 0.015870 0.190934
O -3.155527 -0.007437 -1.711763
C 3.191765 0.004989 0.334178
C 1.942159 0.006439 -0.575028
C 4.520362 0.000997 -0.454952
C 0.620351 0.011380 0.228490
C -4.208834 0.010762 0.527976
C 5.769738 -0.001417 0.454545
C -0.602510 0.010125 -0.688578
C -5.056277 -1.281475 0.346680
C -5.076043 1.283998 0.310409
C 7.100108 -0.005255 -0.332919
C -3.049388 0.005562 -0.461697
C -4.279134 -2.582457 0.639501
C -4.320114 2.604301 0.570235
C 8.342390 -0.007830 0.584123
H 3.162562 0.893832 0.998341
H 3.158672 -0.881950 1.000703
H 1.971789 -0.883184 -1.238130
H 1.976242 0.893306 -1.241586
H 4.554049 0.888366 -1.121322
H 4.549602 -0.887612 -1.119882
H 0.579410 -0.875509 0.889911
H 0.582423 0.902806 0.883949
H -3.780721 0.028223 1.548193
H 5.737862 -0.888810 1.121053
H 5.742204 0.887008 1.119865
H -0.642414 -0.886896 -1.334436
H -0.639176 0.902353 -1.341243
H -5.447336 -1.301131 -0.689060
H -5.931029 -1.209341 1.022671
H -5.951549 1.216299 0.985927
H -5.464356 1.269820 -0.726450
H 7.131373 0.881553 -0.998541
H 7.126869 -0.893028 -0.997452
H -3.430297 -2.708198 -0.057538
H -4.934653 -3.465355 0.529697
H -3.873933 -2.584250 1.668531
H -3.917834 2.639595 1.599817
H -3.471443 2.724891 -0.127962
H -4.989000 3.473630 0.435588
H 8.354149 0.885387 1.237022
H 9.279956 -0.010763 -0.001691
H 8.349440 -0.900095 1.238393


