%chk=000102999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102999

0 1
 O    1.875500     -0.5409000      0.1408000    
 O    3.561900      0.8254000     -0.6241000    
 O   -1.975800      0.2591000     -0.3527000    
 O    2.473600      -2.477400      -1.893900    
 O    3.552600      -1.158600       2.388900    
 O  -0.5702000      0.4573000      -2.158300    
 N   2.9400000E-02   1.230700     -5.4299999E-02
 N    2.862400      -1.549200      0.2026000    
 C    1.729300       2.894600      0.5486000    
 C   0.7793000       4.109800      0.5188000    
 C    1.337400       1.739200     -0.3821000    
 C    1.195000       5.199100       1.508100    
 C   0.7292000       4.690900     -0.8972000    
 C    2.390400      0.6384000     -0.3091000    
 C    4.203800      -3.306000     -0.4177000    
 C    4.561800      -2.868300       1.004200    
 C    3.064800      -2.411800     -0.8273000    
 C    3.606200      -1.750100       1.321700    
 C  -0.8147000      0.6326000     -0.9692000    
 C   -2.949100     -0.3779000      -1.187700    
 C   -4.154000     -0.7207000     -0.3617000    
 C   -4.230500      -1.956600      0.2808000    
 C   -5.197400      0.1964000     -0.2357000    
 C   -5.350200      -2.275400       1.048900    
 C   -6.317200     -0.1224000      0.5326000    
 C   -6.393500      -1.358300       1.174900    
 H    2.746600       3.229100      0.3043000    
 H    1.780400       2.519500       1.580300    
 H  -0.2317000       3.785700      0.7946000    
 H    1.323700       2.058900      -1.430000    
 H   0.4901000       6.036900       1.487300    
 H    1.216400       4.804300       2.529200    
 H    2.192200       5.587200       1.274300    
 H   0.1345000       5.611000     -0.9153000    
 H   0.2592000       3.998800      -1.602000    
 H    1.731500       4.933300      -1.266200    
 H  -0.2741000       1.262200      0.9145000    
 H    5.047300      -3.167800      -1.100300    
 H    3.881900      -4.351100     -0.4419000    
 H    4.425400      -3.686400       1.717400    
 H    5.591300      -2.503000       1.060200    
 H   -3.231100      0.2949000      -2.007100    
 H   -2.520900      -1.287100      -1.627900    
 H   -3.423000      -2.678600      0.1921000    
 H   -5.148600       1.163400     -0.7295000    
 H   -5.409600      -3.237400       1.549600    
 H   -7.129300      0.5918000      0.6313000    
 H   -7.265200      -1.606200       1.773300    


%chk=000102999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102999

0 1
O 2.080453 -0.645920 0.332064
O 3.445639 0.423378 -1.280018
O -2.212906 0.381859 -0.431674
O 2.444919 -3.185793 -1.054005
O 4.335714 -0.194121 2.059668
O -1.163051 1.636404 -2.134596
N -0.012353 0.894265 -0.221113
N 3.161481 -1.549994 0.512082
C 1.764139 2.605435 0.339393
C 0.811894 3.828761 0.360889
C 1.282872 1.453082 -0.605416
C 1.295380 4.827706 1.439937
C 0.706039 4.516629 -1.021525
C 2.391103 0.406240 -0.642394
C 4.559878 -3.423230 0.282027
C 5.186032 -2.438927 1.308799
C 3.262500 -2.772167 -0.211867
C 4.237321 -1.240207 1.388382
C -1.120767 1.027029 -1.032409
C -3.485802 0.435276 -1.229500
C -4.539441 -0.304498 -0.443622
C -4.673451 -1.710510 -0.568431
C -5.407347 0.394471 0.432232
C -5.653708 -2.406777 0.172366
C -6.389885 -0.298302 1.174429
C -6.514532 -1.701229 1.045782
H 2.770623 2.926810 0.005484
H 1.878614 2.196494 1.362877
H -0.197815 3.470895 0.649193
H 1.174346 1.844068 -1.632254
H 0.607824 5.690350 1.511901
H 1.352462 4.353293 2.437545
H 2.301159 5.218622 1.192432
H 0.088337 5.430741 -0.949317
H 0.235091 3.863043 -1.777071
H 1.707067 4.816246 -1.388501
H -0.097476 0.340960 0.632688
H 5.211108 -3.603374 -0.589664
H 4.319197 -4.406914 0.719689
H 5.293122 -2.877019 2.315730
H 6.181802 -2.076646 1.002351
H -3.744951 1.496857 -1.388389
H -3.286898 -0.027223 -2.212477
H -4.004795 -2.258080 -1.243471
H -5.310749 1.482316 0.533539
H -5.748859 -3.493235 0.068037
H -7.056467 0.252029 1.847652
H -7.277864 -2.239795 1.618646


