%chk=000227861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227861

0 1
O -0.187612 -0.002662 0.072520
O -1.425901 -0.009586 -1.812683
C -2.516664 -0.005899 0.409093
C -3.359760 -1.280615 0.216494
C -3.362684 1.266146 0.211594
C 2.150930 0.003635 0.308865
C 3.527774 0.003582 -0.363712
C -1.386523 -0.006490 -0.604704
C 1.037966 -0.002537 -0.732973
C 4.656019 0.010594 0.677459
C -2.593410 -2.540883 0.603769
C -2.599420 2.529579 0.594615
C 6.031966 0.010565 0.015903
H -2.079013 -0.003409 1.441353
H -4.282358 -1.201882 0.825375
H -3.696834 -1.351121 -0.839059
H -3.699561 1.332049 -0.844318
H -4.285327 1.187452 0.820407
H 2.037365 0.886617 0.969742
H 2.040672 -0.874602 0.976601
H 3.626900 0.884226 -1.028124
H 3.630633 -0.882503 -1.020274
H 1.027698 -0.906104 -1.364975
H 1.023555 0.896567 -1.371237
H 4.556948 0.897047 1.334520
H 4.560680 -0.870395 1.342372
H -1.693992 -2.675761 -0.010407
H -3.212905 -3.435663 0.470716
H -2.270345 -2.517385 1.651146
H -1.699670 2.663948 -0.019190
H -3.220704 3.422492 0.457457
H -2.277303 2.510890 1.642385
H 6.178896 -0.875019 -0.612989
H 6.175260 0.891280 -0.620619
H 6.831326 0.015447 0.765678


%chk=000227861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227861

0 1
O -0.190023 0.001281 0.242104
O -1.428131 -0.004880 -1.730435
C -2.602116 -0.004411 0.448060
C -3.441895 -1.291396 0.204905
C -3.451660 1.274659 0.197339
C 2.237535 0.003855 0.409663
C 3.599857 0.004561 -0.323325
C -1.389828 -0.002663 -0.476352
C 1.065141 0.002396 -0.571002
C 4.801038 0.005428 0.649668
C -2.685260 -2.598106 0.524894
C -2.705202 2.588946 0.510087
C 6.162517 0.005992 -0.078037
H -2.231532 -0.000021 1.490666
H -4.352892 -1.224691 0.831776
H -3.774528 -1.297655 -0.851254
H -3.783912 1.272361 -0.858956
H -4.362343 1.204541 0.824292
H 2.162679 0.893270 1.064762
H 2.164090 -0.885078 1.065578
H 3.667067 0.892753 -0.985722
H 3.668120 -0.883822 -0.985369
H 1.062292 -0.892402 -1.221249
H 1.060395 0.896851 -1.221705
H 4.732886 0.892854 1.311275
H 4.733814 -0.881787 1.311650
H -1.801471 -2.720104 -0.128029
H -3.336850 -3.477569 0.372029
H -2.334669 -2.611599 1.573765
H -1.822317 2.714160 -0.143459
H -3.363553 3.462478 0.352266
H -2.354875 2.610991 1.558903
H 6.268808 -0.887072 -0.722384
H 6.267816 0.898836 -0.722849
H 7.003604 0.006642 0.639246


