%chk=000101102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101102

0 1
 O    1.906300      -2.003300      -2.299800    
 O   0.5800000      -3.011100      7.8299999E-02
 O    1.997100      0.9184000      -2.131800    
 N  -0.3326000     -0.8233000     -0.1591000    
 N   0.1459000      0.3837000     -0.7298000    
 C    1.745700      -1.261600      -1.115500    
 C    3.048400      -1.272600     -0.3297000    
 C   0.6252000      -1.843900     -0.2815000    
 C    1.332400      0.1568000      -1.445500    
 C    2.924400     -0.4804000      0.9716000    
 C    4.224600     -0.5222000       1.773900    
 C   -1.711700      -1.101700      8.6700000E-02
 C  -0.2586000       1.686700     -0.3085000    
 C    4.094900      0.2365000       3.085000    
 C   -2.079400      -2.240100      0.8076000    
 C   0.1035000       2.808400      -1.057100    
 C   -2.698100     -0.2373000     -0.3935000    
 C   -1.016700       1.843200      0.8535000    
 C   -3.426200      -2.512400       1.047200    
 C  -0.2912000       4.081400     -0.6454000    
 C   -4.044900     -0.5097000     -0.1539000    
 C   -1.411300       3.116300       1.265200    
 C   -4.409100      -1.647200      0.5664000    
 C   -1.048500       4.235300      0.5157000    
 H    3.859600     -0.8574000     -0.9423000    
 H    3.341200      -2.307600     -0.1093000    
 H    2.681200      0.5680000      0.7652000    
 H    2.120700     -0.8848000       1.597500    
 H    5.040000     -8.7099999E-02   1.184400    
 H    4.497500      -1.562100       1.988000    
 H    1.063400      -1.988700      -2.785000    
 H    3.310000     -0.1966000       3.713300    
 H    3.851300       1.288800       2.907000    
 H    5.036400      0.1952000       3.641500    
 H   -1.358600      -2.918000       1.249200    
 H   0.6492000       2.743900      -1.991000    
 H   -2.480800      0.6134000      -1.030300    
 H   -1.257400       1.018800       1.516300    
 H   -3.710200      -3.392100       1.617500    
 H  -1.7700000E-02   4.952400      -1.233800    
 H   -4.811500      0.1536000     -0.5439000    
 H   -1.986000       3.238400       2.178600    
 H   -5.457900      -1.860200      0.7515000    
 H   -1.354300       5.226600      0.8372000    


%chk=000101102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101102

0 1
O 2.113138 -2.033707 -2.339254
O 0.438537 -3.063558 -0.042925
O 2.016937 1.074963 -2.044220
N -0.347239 -0.831677 -0.182423
N 0.123393 0.400052 -0.788318
C 1.801755 -1.260669 -1.139738
C 3.099771 -1.267645 -0.302602
C 0.598834 -1.864139 -0.374530
C 1.364444 0.192803 -1.437155
C 3.018081 -0.505807 1.037186
C 4.347354 -0.587110 1.822836
C -1.757296 -1.039798 0.028292
C -0.342156 1.671688 -0.300560
C 4.290383 0.162240 3.170482
C -2.163901 -1.977947 1.009407
C -0.280641 2.795921 -1.161323
C -2.719268 -0.344537 -0.746171
C -0.820717 1.805833 1.027158
C -3.540290 -2.221454 1.203521
C -0.694395 4.056608 -0.679883
C -4.091427 -0.588737 -0.528094
C -1.245156 3.069948 1.485979
C -4.509474 -1.527253 0.443378
C -1.183236 4.200609 0.638783
H 3.887587 -0.831952 -0.945232
H 3.346499 -2.331599 -0.126382
H 2.774811 0.561433 0.859146
H 2.205382 -0.923016 1.666942
H 5.163506 -0.169763 1.199277
H 4.601585 -1.651839 1.999373
H 1.303816 -2.137113 -2.903424
H 3.504579 -0.258242 3.826286
H 4.063529 1.234457 3.019393
H 5.252409 0.093180 3.710177
H -1.413878 -2.518289 1.591060
H 0.102316 2.683729 -2.177867
H -2.402303 0.376373 -1.504945
H -0.859039 0.936891 1.690039
H -3.852745 -2.953077 1.956275
H -0.638680 4.926195 -1.343466
H -4.833622 -0.046056 -1.123421
H -1.618979 3.170452 2.510650
H -5.576169 -1.714110 0.606040
H -1.511834 5.180117 1.001853


