%chk=000001104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001104

0 1
 O   -5.214900      -2.164500      -1.612100    
 O   -1.595000      -2.695900       1.578900    
 N   -3.924100      -3.764700      0.3158000    
 C    1.111000       1.710100     -0.1437000    
 C    2.311500       1.086500      0.5714000    
 C  -0.1057000       1.789100      0.7826000    
 C    3.537300      0.9168000     -0.3308000    
 C   -1.296800       2.442000      7.8400001E-02
 C    4.713200      0.2262000      0.3635000    
 C   -2.537300       2.567500      0.9680000    
 C    5.912500      9.4599999E-02 -0.5782000    
 C   -3.770700       3.194200      0.3098000    
 C    7.076400     -0.6291000      0.1009000    
 C   -4.307800       2.382300     -0.8702000    
 C    8.285800     -0.7308000     -0.8282000    
 C   -4.702100      0.9992000     -0.4395000    
 C   -4.613400      -1.551000     -0.4649000    
 C   -3.421000      -2.420000      2.7999999E-03
 C   -4.218000     -0.1663000     -0.8966000    
 C    9.456300      -1.420000     -0.1452000    
 C   -2.697300      -1.866100       1.237200    
 H   0.8594000       1.112800      -1.028400    
 H    1.377600       2.714000     -0.4954000    
 H    2.023300      0.1037000      0.9652000    
 H    2.583200       1.705800       1.435100    
 H  -0.3819000      0.7821000       1.116800    
 H   0.1504000       2.368300       1.677800    
 H    3.251800      0.3349000      -1.216000    
 H    3.854600       1.903700     -0.6900000    
 H   -1.010700       3.440200     -0.2751000    
 H   -1.537500       1.848100     -0.8103000    
 H    5.002700      0.7996000       1.252300    
 H    4.401600     -0.7678000      0.7064000    
 H   -2.790700       1.585000       1.382700    
 H   -2.272400       3.190300       1.832600    
 H    5.615500     -0.4560000      -1.479100    
 H    6.235600       1.092000     -0.9003000    
 H   -4.556200       3.308500       1.067600    
 H   -3.521400       4.204000     -3.7999999E-02
 H    7.359700     -9.0700001E-02   1.013600    
 H    6.759100      -1.634200      0.4043000    
 H   -5.194600       2.885200      -1.273700    
 H   -3.574300       2.347800      -1.682900    
 H    8.015100      -1.289400      -1.731700    
 H    8.596500      0.2711000      -1.146800    
 H   -5.475200      0.9552000      0.3262000    
 H   -5.375200      -1.507600      0.3238000    
 H   -2.701400      -2.538100     -0.8177000    
 H   -3.452500     -0.1206000      -1.670300    
 H    9.773100     -0.8663000      0.7444000    
 H    9.189000      -2.436800      0.1596000    
 H    10.30960      -1.483200     -0.8277000    
 H   -3.371200      -1.808100       2.099400    
 H   -2.306300     -0.8646000       1.036300    
 H   -4.350300      -4.170900     -0.5162000    
 H   -3.143700      -4.370700      0.5662000    
 H   -6.014200      -1.656200      -1.833900    
 H   -1.167900      -2.297300       2.356200    


%chk=000001104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001104

0 1
O -5.632756 -2.223605 -1.489427
O -1.803933 -2.911277 1.298529
N -4.349722 -3.741434 0.447294
C 1.182298 1.642299 -0.185177
C 2.392849 0.983308 0.513619
C -0.056094 1.765267 0.730773
C 3.645530 0.885216 -0.385867
C -1.280963 2.403413 0.037348
C 4.851503 0.221729 0.316588
C -2.489564 2.561785 0.988175
C 6.110488 0.134446 -0.575600
C -3.734583 3.218085 0.344650
C 7.315765 -0.529031 0.128145
C -4.379798 2.391634 -0.807725
C 8.576638 -0.611712 -0.762540
C -4.831105 1.019115 -0.359174
C -4.894703 -1.511930 -0.405924
C -3.754738 -2.485378 -0.035379
C -4.425559 -0.163229 -0.895337
C 9.776435 -1.273283 -0.050424
C -2.862169 -1.906606 1.068943
H 0.915129 1.054031 -1.087881
H 1.471478 2.651704 -0.546079
H 2.108053 -0.033997 0.855431
H 2.645145 1.559499 1.428839
H -0.335026 0.756425 1.104001
H 0.210621 2.364188 1.627128
H 3.394469 0.312013 -1.302891
H 3.933193 1.902727 -0.724772
H -0.999261 3.398883 -0.366328
H -1.564736 1.780730 -0.835400
H 5.096152 0.789867 1.238790
H 4.566390 -0.798995 0.647614
H -2.768628 1.564931 1.388159
H -2.178063 3.171294 1.861463
H 5.866787 -0.433436 -1.498047
H 6.396002 1.155337 -0.906185
H -4.500337 3.386208 1.129775
H -3.463331 4.218915 -0.048676
H 7.558899 0.036453 1.052401
H 7.033058 -1.551594 0.455832
H -5.254276 2.960965 -1.186913
H -3.673690 2.296517 -1.654112
H 8.333904 -1.178469 -1.684709
H 8.857231 0.410014 -1.091220
H -5.530705 0.997318 0.494227
H -5.557751 -1.397110 0.478704
H -3.122334 -2.609111 -0.949153
H -3.729916 -0.174617 -1.748333
H 10.058047 -0.708531 0.858609
H 9.531659 -2.306648 0.260595
H 10.664244 -1.319806 -0.707886
H -3.468334 -1.755778 1.987084
H -2.419001 -0.942517 0.746059
H -5.000925 -4.148203 -0.231400
H -3.638882 -4.399574 0.782533
H -6.356919 -1.628499 -1.809447
H -1.274063 -2.656048 2.093595


