%chk=000113771.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113771

0 1
 O   -3.995900       1.611000      0.8383000    
 N    2.371500      9.4999999E-02 -0.5966000    
 C    2.786600     -8.6000003E-02  0.8097000    
 C    2.045100      -1.271900       1.450400    
 C   0.1280000     -0.8709000     -0.1168000    
 C   0.9185000      0.3128000     -0.7059000    
 C    4.303100     -0.3305000      0.9041000    
 C   0.5318000      -1.112600       1.343800    
 C    3.092800       1.209100      -1.231600    
 C    5.094100      0.7854000      0.2324000    
 C    4.604800      0.9937000      -1.194100    
 C   -1.371300     -0.6830000     -0.2634000    
 C   -2.000600      0.3902000      0.3632000    
 C   -2.112100      -1.584300      -1.024600    
 C   -3.378100      0.5631000      0.2279000    
 C   -3.489500      -1.411500      -1.160000    
 C   -4.122500     -0.3377000     -0.5339000    
 C   -5.406300       1.728200      0.6573000    
 H    2.546300      0.8224000       1.381000    
 H    2.324300      -1.361200       2.507100    
 H    2.342700      -2.210200      0.9640000    
 H   0.4142000      -1.768000     -0.6858000    
 H   0.6457000      0.4193000      -1.764200    
 H   0.6413000       1.252900     -0.2106000    
 H    4.560200      -1.287600      0.4309000    
 H    4.605900     -0.4054000       1.955400    
 H   3.7500001E-02  -2.010900       1.733400    
 H   0.2183000     -0.2786000       1.983900    
 H    2.846300       2.161000     -0.7426000    
 H    2.789200       1.295700      -2.282100    
 H    6.162100      0.5414000      0.2319000    
 H    4.975300       1.714900      0.8024000    
 H    5.113100       1.857800      -1.636700    
 H    4.868000      0.1203000      -1.804200    
 H   -1.435100       1.101200      0.9596000    
 H   -1.633700      -2.425500      -1.518700    
 H   -4.068300      -2.113500      -1.753400    
 H   -5.194500     -0.2631000     -0.6809000    
 H   -5.664600       1.895400     -0.3939000    
 H   -5.730600       2.615600       1.210900    
 H   -5.939500      0.8723000       1.084900    


%chk=000113771-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113771

0 1
O -4.040505 1.561422 0.907668
N 2.385211 0.089991 -0.560461
C 2.831391 -0.075242 0.855058
C 2.072965 -1.249398 1.513670
C 0.127063 -0.900122 -0.071030
C 0.919971 0.294679 -0.662484
C 4.357970 -0.307437 0.916342
C 0.542286 -1.091170 1.411666
C 3.112630 1.182344 -1.258433
C 5.147743 0.805420 0.194996
C 4.634589 0.949006 -1.254450
C -1.375322 -0.719378 -0.263292
C -2.074894 0.319736 0.392351
C -2.099083 -1.588448 -1.124780
C -3.466640 0.490464 0.197596
C -3.485423 -1.415799 -1.315401
C -4.186898 -0.377601 -0.659511
C -5.476369 1.789980 0.739977
H 2.596719 0.863428 1.433216
H 2.383082 -1.325098 2.574204
H 2.381420 -2.187194 1.009497
H 0.446476 -1.802595 -0.629591
H 0.660743 0.417282 -1.731180
H 0.601000 1.234402 -0.136797
H 4.580802 -1.283378 0.440201
H 4.664430 -0.378695 1.978405
H 0.027604 -1.972137 1.839720
H 0.217273 -0.210631 2.002296
H 2.896983 2.176773 -0.781283
H 2.736109 1.232478 -2.297963
H 6.231438 0.581348 0.207207
H 5.009739 1.767746 0.730765
H 5.137333 1.790184 -1.769632
H 4.858014 0.024231 -1.820975
H -1.564495 1.015332 1.066859
H -1.570014 -2.397960 -1.640914
H -4.033296 -2.093485 -1.980262
H -5.262819 -0.260652 -0.819257
H -5.729040 2.016831 -0.314474
H -5.704373 2.661783 1.371013
H -6.067712 0.917860 1.081963


