%chk=000048710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048710

0 1
 O    5.326200      0.4052000       1.209700    
 N   -1.800800      0.3821000     -0.1653000    
 C   0.6217000      0.5268000     -0.2420000    
 C   -1.319800       1.395800      0.7943000    
 C  -0.6049000     -0.3420000     -0.6756000    
 C   9.8399997E-02  0.9652000       1.138500    
 C   0.8009000       1.811100      -1.114500    
 C   -2.760500     -0.5237000      0.4402000    
 C   -1.263900       2.755200      7.8800000E-02
 C  -0.4410000       2.709500      -1.211900    
 C    1.960900     -0.2042000     -9.4200000E-02
 C   -3.997200      0.1940000      0.9673000    
 C   -3.355800      -1.506700     -0.5605000    
 C  -0.7569000     -0.6023000      -2.175100    
 C   -5.022000     -0.9257000       1.128300    
 C   -4.608900      -2.022000      0.1425000    
 C    3.048300      0.4409000      0.4972000    
 C    2.095400      -1.516700     -0.5504000    
 C    4.266900     -0.2245000      0.6322000    
 C    3.313800      -2.182100     -0.4154000    
 C    4.399400      -1.536000      0.1760000    
 H   -1.907900       1.503200       1.709400    
 H  -0.5323000      -1.311100     -0.1625000    
 H   0.6830000       1.774700       1.590600    
 H   8.9400001E-02  0.1263000       1.848000    
 H    1.133200       1.542500      -2.125300    
 H    1.604400       2.432000     -0.6975000    
 H   -2.302700      -1.083300       1.269500    
 H  -0.8204000       3.496800      0.7556000    
 H   -2.277300       3.107500     -0.1496000    
 H   -1.082100       2.354400      -2.026200    
 H  -0.1437000       3.725000      -1.499400    
 H   -4.369100      0.9279000      0.2405000    
 H   -3.845700      0.7099000       1.919600    
 H   -2.687000      -2.337500     -0.8032000    
 H   -3.645600      -1.004700      -1.492300    
 H   0.2071000     -0.8302000      -2.640000    
 H   -1.412300      -1.451900      -2.380400    
 H   -1.171500      0.2581000      -2.708400    
 H   -6.038000     -0.5667000      0.9356000    
 H   -5.000600      -1.320400       2.150700    
 H   -4.389000      -2.946800      0.6883000    
 H   -5.404900      -2.245600     -0.5751000    
 H    2.964200       1.459800      0.8654000    
 H    1.288300      -2.065700      -1.020200    
 H    3.418100      -3.202900     -0.7713000    
 H    5.343200      -2.065500      0.2750000    
 H    6.085900     -0.2021000       1.220800    


%chk=000048710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048710

0 1
O 5.380273 0.492923 1.136818
N -1.809297 0.373743 -0.102249
C 0.636969 0.530644 -0.213668
C -1.296953 1.433134 0.852850
C -0.595367 -0.329180 -0.681893
C 0.136439 0.969976 1.196581
C 0.812385 1.830409 -1.079595
C -2.810606 -0.543801 0.506012
C -1.238915 2.813246 0.154240
C -0.473859 2.694447 -1.185949
C 1.966430 -0.235735 -0.138789
C -4.093894 0.201346 0.984689
C -3.378643 -1.607303 -0.469723
C -0.705463 -0.554533 -2.204249
C -5.259100 -0.839745 0.909315
C -4.641137 -2.119110 0.261947
C 3.088407 0.414280 0.437523
C 2.135599 -1.569791 -0.601739
C 4.331943 -0.240419 0.545063
C 3.384915 -2.219958 -0.491514
C 4.497160 -1.566508 0.079340
H -1.944892 1.483963 1.745297
H -0.497845 -1.323734 -0.182938
H 0.757377 1.766601 1.642704
H 0.129065 0.105744 1.887852
H 1.163343 1.555729 -2.093081
H 1.624515 2.429549 -0.623690
H -2.367599 -1.096518 1.379138
H -0.742471 3.536068 0.834030
H -2.263247 3.185587 -0.036073
H -1.162902 2.238152 -1.918102
H -0.211365 3.697968 -1.573444
H -4.271423 1.045786 0.292621
H -3.983561 0.620221 2.000598
H -2.662769 -2.416084 -0.702051
H -3.654593 -1.104915 -1.417538
H 0.242353 -0.938880 -2.623457
H -1.501659 -1.280928 -2.438205
H -0.954063 0.384443 -2.724517
H -6.083681 -0.448499 0.286027
H -5.685556 -1.057578 1.904948
H -4.351266 -2.843665 1.047500
H -5.343649 -2.635783 -0.416087
H 3.017114 1.436738 0.821620
H 1.299081 -2.113746 -1.047088
H 3.494684 -3.247726 -0.855532
H 5.465975 -2.076261 0.161268
H 6.208646 -0.046696 1.170887


