%chk=000226352.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226352

0 1
 O   -1.207300       1.392700      -1.147900    
 O    2.738500      -2.537900      0.8471000    
 O   -3.062500     -0.6528000     -0.8334000    
 O   -5.078000     -3.8699999E-02 -3.9900001E-02
 O   -3.289800     -7.1300000E-02   1.414200    
 N    3.307900     -0.8260000     -0.6113000    
 C    5.066300       1.395000      0.4899000    
 C    5.322500     -0.1197000      0.6194000    
 C    4.732400     -0.9728000     -0.5009000    
 C    5.631400       2.186200       1.670300    
 C    5.675100       1.911800     -0.8165000    
 C    2.413100      -1.633300      8.2699999E-02
 C   0.9710000      -1.371600     -0.1600000    
 C   0.5479000     -9.9500000E-02 -0.5452000    
 C   3.9900001E-02  -2.398100     -1.6000000E-03
 C  -0.8063000      0.1462000     -0.7723000    
 C   -1.737500     -0.8802000     -0.6137000    
 C   -1.314300      -2.152200     -0.2284000    
 C  -0.9223000       2.463400     -0.2498000    
 C   -1.980700       3.534200     -0.4073000    
 C   -3.772600     -0.2338000      0.3006000    
 C   -5.935000      0.3948000       1.021200    
 C   -7.339700      0.5638000      0.4828000    
 H    3.984700       1.576600      0.4618000    
 H    6.403000     -0.3055000      0.6687000    
 H    4.907000     -0.4592000       1.577300    
 H    5.170900     -0.7229000      -1.471400    
 H    4.966000      -2.026300     -0.3085000    
 H    5.411600       3.254100       1.567300    
 H    5.189400       1.842300       2.611300    
 H    6.717700       2.067300       1.743300    
 H    6.739600       1.664100     -0.8876000    
 H    5.165000       1.499200      -1.691900    
 H    5.580400       3.001500     -0.8809000    
 H    2.973700     -0.1355000      -1.274500    
 H    1.248900      0.7229000     -0.6537000    
 H   0.3500000      -3.397000      0.2937000    
 H   -2.034000      -2.957000     -0.1046000    
 H   6.3199997E-02   2.877100     -0.4900000    
 H  -0.9157000       2.113300      0.7900000    
 H   -2.010100       3.898900      -1.439400    
 H   -2.973600       3.129400     -0.1845000    
 H   -1.785700       4.378200      0.2601000    
 H   -5.572300       1.350500       1.415900    
 H   -5.932800     -0.3537000       1.821400    
 H   -7.354900       1.296700     -0.3307000    
 H   -7.709400     -0.3796000      6.7699999E-02
 H   -8.022900      0.8954000       1.269600    


%chk=000226352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226352

0 1
O -1.615888 1.236908 -0.467693
O 2.903948 -2.824346 0.446159
O -3.234264 -0.991259 -0.484506
O -5.216921 -0.138197 0.043309
O -3.483706 0.078744 1.613376
N 3.278244 -0.794038 -0.628411
C 5.131422 1.485233 0.465245
C 5.367515 -0.044589 0.573815
C 4.746655 -0.897922 -0.558895
C 5.654120 2.196407 1.736188
C 5.784107 2.091376 -0.801349
C 2.445764 -1.763218 -0.084993
C 0.962379 -1.499984 -0.182002
C 0.421743 -0.189495 -0.271053
C 0.098363 -2.618834 -0.157949
C -0.976769 0.003396 -0.353786
C -1.826673 -1.137822 -0.327463
C -1.297285 -2.433330 -0.236185
C -0.793962 2.459756 -0.357000
C -1.756872 3.641800 -0.409731
C -3.931362 -0.291279 0.512385
C -6.151095 0.548390 0.992217
C -7.512966 0.576132 0.309416
H 4.034002 1.657133 0.410156
H 6.460555 -0.239215 0.589485
H 4.964556 -0.410012 1.538491
H 5.169164 -0.615085 -1.541116
H 4.977519 -1.962828 -0.381410
H 5.470197 3.286156 1.692011
H 5.163970 1.803239 2.646108
H 6.745123 2.043095 1.847595
H 6.878893 1.926496 -0.789440
H 5.389355 1.646627 -1.733992
H 5.609172 3.182153 -0.852229
H 2.865334 -0.017045 -1.144302
H 1.082622 0.682196 -0.229836
H 0.536678 -3.616070 -0.063485
H -1.988364 -3.281262 -0.223820
H -0.069369 2.490604 -1.197361
H -0.234525 2.436654 0.600205
H -2.323376 3.641541 -1.356376
H -2.473523 3.591581 0.427210
H -1.195448 4.590900 -0.336427
H -5.755196 1.560239 1.193604
H -6.161645 -0.017976 1.941046
H -7.463451 1.125231 -0.646025
H -7.871713 -0.446680 0.104893
H -8.247329 1.079498 0.964325


