%chk=000169983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169983

0 1
 O   -2.875400      -1.320000     -0.3354000    
 O    2.456900      -1.830400     -2.5599999E-02
 N   -5.396400     -0.8800000     -0.5128000    
 N   -2.270300      0.9538000     -0.3550000    
 N   -7.493100      -1.467900      0.4426000    
 N    1.221200       1.572700     -0.1692000    
 N    3.591100      0.1916000     -5.2000000E-03
 N    8.380600      0.6392000      0.2558000    
 N    7.362100      -1.496800      0.2411000    
 C   -4.561800      0.3355000     -0.4694000    
 C   -5.004000       1.096700      0.7654000    
 C   -6.468600      0.7422000      0.8516000    
 C   -6.442000     -0.6233000      0.2204000    
 C   -3.146000     -0.1242000     -0.3801000    
 C  -0.8580000      0.9144000     -0.2752000    
 C  -7.1099997E-02 -0.2330000     -0.2069000    
 C  -7.2200000E-02   2.018100     -0.2524000    
 C    1.234000      0.2026000     -0.1408000    
 C    2.427200     -0.5787000     -5.6400001E-02
 C    4.745300     -0.3879000      7.2899997E-02
 C    5.999300      0.4006000      0.1273000    
 C    7.241400     -0.1253000      0.2074000    
 H   -4.711400      0.9138000      -1.389000    
 H   -4.841100       2.175600      0.6812000    
 H   -4.476800      0.7500000       1.663500    
 H   -7.092000       1.405700      0.2444000    
 H   -6.839000      0.7151000       1.879000    
 H   -2.658600       1.893300     -0.4038000    
 H   -8.282000      -1.199100       1.021200    
 H   -7.516200      -2.394500      3.0700000E-02
 H  -0.3769000      -1.269600     -0.2032000    
 H  -0.2900000       3.076600     -0.2858000    
 H    2.039000       2.166100     -0.1341000    
 H    4.822800      -1.483200      0.1001000    
 H    5.873500       1.480400      9.8700002E-02
 H    8.316900       1.649000      0.2316000    
 H    9.280700      0.1804000      0.3143000    
 H    8.295300      -1.886300      0.3005000    
 H    6.576100      -2.127100      0.2085000    


%chk=000169983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169983

0 1
O -2.699960 0.686899 2.339615
O 2.819115 -0.003651 2.172402
N -4.961593 0.873586 -0.582607
N -2.382101 0.780448 0.003826
N -6.703743 -0.097341 -1.872891
N 1.063107 0.424029 -1.005918
N 3.558986 0.070336 -0.127229
N 8.314138 -0.142834 -1.104915
N 7.615247 -0.771269 1.033210
C -4.640308 1.042248 0.871924
C -5.574625 0.058047 1.654910
C -6.741358 -0.186600 0.658224
C -6.095564 0.208999 -0.673974
C -3.142923 0.811208 1.155959
C -0.985266 0.614089 -0.083680
C -0.043410 0.430747 0.979021
C -0.269114 0.606365 -1.309393
C 1.229307 0.314738 0.378765
C 2.570058 0.117446 0.927701
C 4.824243 -0.068873 0.269919
C 5.920719 -0.129449 -0.637159
C 7.249521 -0.341353 -0.234908
H -4.856856 2.090571 1.166671
H -5.904348 0.475455 2.618485
H -5.030550 -0.878830 1.863714
H -7.605612 0.475457 0.863145
H -7.109557 -1.228462 0.660597
H -2.951916 0.867212 -0.852799
H -7.547547 -0.660912 -1.904139
H -6.273358 0.206014 -2.743955
H -0.267403 0.391382 2.040379
H -0.629931 0.718735 -2.329953
H 1.882146 0.361790 -1.616496
H 5.026679 -0.120736 1.361393
H 5.713296 -0.012607 -1.705575
H 8.145399 0.316729 -1.995619
H 9.190805 -0.645282 -0.979444
H 8.520841 -0.516942 1.423639
H 6.893935 -1.091290 1.675056


