%chk=000043381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043381

0 1
 O   -3.258000       2.486000      0.8793000    
 O  -0.9534000       2.800600      -1.279300    
 N   -2.508800      0.3353000      0.1921000    
 N    1.713100      0.3650000      0.3673000    
 C   -1.156600      0.6942000     -0.1670000    
 C   -4.826400      0.7763000      0.9712000    
 C   -5.809800      0.6729000     -0.1575000    
 C   -5.986500       1.725500      0.8973000    
 C  -0.4497000       1.389800       1.000500    
 C  -0.3688000     -0.5379000     -0.6223000    
 C   -3.445400       1.288100      0.6905000    
 C    1.038900       1.620100      0.7232000    
 C    1.116600     -0.2309000     -0.8350000    
 C   -1.378100       1.646700      -1.309600    
 C    3.144400      0.5922000      0.1687000    
 C   -2.880800      -1.074100      0.1079000    
 C   -2.142600       1.117800      -2.492900    
 C    3.941500     -0.6898000      0.4127000    
 C   -3.474600      -1.570400      -1.052800    
 C   -2.641800      -1.924600       1.187400    
 C    5.421600     -0.4639000      0.2331000    
 C   -3.829700      -2.916800      -1.133700    
 C   -2.996800      -3.271200       1.106300    
 C   -3.590800      -3.767200     -5.4299999E-02
 C    6.007400     -0.6429000      -1.020200    
 C    6.204900     -7.5400002E-02   1.319900    
 C    7.376400     -0.4338000      -1.186500    
 C    7.574000      0.1338000       1.153400    
 C    8.159700     -4.5400001E-02 -9.9900000E-02
 H   -4.888700      3.6499999E-02   1.763900    
 H   -6.495000     -0.1659000     -0.1536000    
 H   -5.512200       1.003400      -1.144900    
 H   -5.821600       2.754700      0.6036000    
 H   -6.792300       1.593000       1.609400    
 H  -0.8933000       2.360000       1.249100    
 H  -0.5475000      0.7731000       1.905200    
 H  -0.7440000      -1.008300      -1.535000    
 H  -0.3762000      -1.315300      0.1516000    
 H    1.182100       2.375000     -5.8899999E-02
 H    1.482600       2.027900       1.640500    
 H    1.613800      -1.174700      -1.085300    
 H    1.234500      0.4315000      -1.702800    
 H    3.354200       1.012000     -0.8244000    
 H    3.506400       1.338100      0.8902000    
 H   -1.811400      0.1359000      -2.822900    
 H   -1.961000       1.794900      -3.335800    
 H   -3.215000       1.143000      -2.294800    
 H    3.752200      -1.066600       1.426700    
 H    3.627300      -1.492900     -0.2645000    
 H   -3.701300     -0.9357000      -1.899500    
 H   -2.182200      -1.547600       2.097300    
 H   -4.298300      -3.301900      -2.034700    
 H   -2.811600      -3.933100       1.947200    
 H   -3.868700      -4.815200     -0.1167000    
 H    5.407200     -0.9432000      -1.875000    
 H    5.759900      6.9100000E-02   2.300800    
 H    7.832400     -0.5726000      -2.162400    
 H    8.184100      0.4368000       1.999500    
 H    9.225500      0.1179000     -0.2295000    


%chk=000043381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043381

0 1
O -3.385692 2.354615 -0.137388
O -0.602613 2.732998 -1.694651
N -2.634943 0.158120 -0.178905
N 1.653678 0.324889 0.120895
C -1.248867 0.672694 -0.527052
C -4.968810 0.654279 0.534529
C -6.190926 1.500872 0.104972
C -5.706449 1.570731 1.544075
C -0.583388 1.252314 0.757017
C -0.362783 -0.488488 -1.077880
C -3.625051 1.115848 0.063044
C 0.929845 1.524375 0.630413
C 1.116083 -0.071960 -1.203709
C -1.369900 1.736143 -1.666000
C 3.121412 0.534640 0.111849
C -2.850541 -1.245950 0.119918
C -2.316602 1.454209 -2.830954
C 3.923075 -0.792944 0.023735
C -3.248194 -2.136106 -0.907052
C -2.671595 -1.732092 1.438897
C 5.419674 -0.550335 0.146547
C -3.457908 -3.503260 -0.619461
C -2.881290 -3.099815 1.724159
C -3.272558 -3.989125 0.696143
C 6.198265 -0.215094 -0.991868
C 6.063870 -0.607939 1.409712
C 7.580427 0.054687 -0.873849
C 7.445967 -0.339554 1.533942
C 8.209799 -0.006026 0.391330
H -5.123082 -0.420513 0.640276
H -7.114337 0.959576 -0.118355
H -5.973422 2.361924 -0.532292
H -5.170826 2.475594 1.843302
H -6.289670 1.079521 2.327742
H -1.102954 2.185519 1.034785
H -0.731509 0.508879 1.563686
H -0.740889 -0.841968 -2.055880
H -0.409417 -1.337685 -0.373229
H 1.091499 2.409726 -0.023326
H 1.328742 1.760781 1.635457
H 1.685113 -0.942681 -1.575535
H 1.233209 0.748453 -1.955872
H 3.444048 1.215919 -0.716596
H 3.393865 1.038392 1.058808
H -2.644180 0.402995 -2.883175
H -1.825029 1.745838 -3.774322
H -3.211216 2.089644 -2.704617
H 3.562467 -1.455998 0.831499
H 3.705569 -1.297392 -0.937049
H -3.397739 -1.750164 -1.921224
H -2.378636 -1.036972 2.232724
H -3.767430 -4.185675 -1.418644
H -2.741550 -3.469067 2.746016
H -3.434877 -5.049436 0.918310
H 5.717613 -0.172141 -1.977610
H 5.477579 -0.871277 2.299268
H 8.165940 0.308962 -1.764966
H 7.926933 -0.393989 2.517466
H 9.282003 0.200305 0.485044


