%chk=000157818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157818

0 1
 O   -5.891800     -0.5153000      3.9999999E-02
 O    5.841800      0.2554000     -0.6228000    
 N   -1.636800     -0.8643000     -0.3177000    
 N    1.625500      0.8506000      3.6600001E-02
 C  -0.7267000      0.2217000     -7.0799999E-02
 C   0.7154000     -0.2419000     -0.2174000    
 C   -2.994400     -0.7455000     -0.2078000    
 C    2.975700      0.7340000     -2.7700000E-02
 C   -3.760900      -2.016300     -0.4728000    
 C    3.700100       2.003900     -0.3956000    
 C   -3.672200      0.3737000      0.1070000    
 C    3.689700     -0.3831000      0.2031000    
 C   -5.159600      0.4542000      0.2161000    
 C    5.179000     -0.4619000      0.1208000    
 C   -5.720200       1.803300      0.5808000    
 C    5.835300      -1.468400       1.028200    
 H  -0.9176000       1.040200     -0.7765000    
 H  -0.8734000      0.6183000      0.9420000    
 H   0.8963000      -1.061200      0.4893000    
 H   0.8780000     -0.6375000      -1.227800    
 H   -1.260800      -1.771800     -0.5720000    
 H    1.248600       1.789400     -5.4400001E-02
 H   -4.431800      -1.909500      -1.331800    
 H   -3.086900      -2.844400     -0.7247000    
 H   -4.314200      -2.343600      0.4138000    
 H    4.557000       2.194700      0.2592000    
 H    4.027400       1.975100      -1.440200    
 H    3.051800       2.882100     -0.2886000    
 H   -3.145100       1.302500      0.3043000    
 H    3.196900      -1.300600      0.5107000    
 H   -5.124500       2.605500      0.1365000    
 H   -6.738000       1.888900      0.1890000    
 H   -5.736800       1.909300       1.668300    
 H    6.175900      -2.320700      0.4349000    
 H    6.685800     -0.9977000       1.529300    
 H    5.144000      -1.820400       1.799000    


%chk=000157818-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157818

0 1
O -5.936584 -0.535755 -0.055952
O 5.949699 0.601800 0.175552
N -1.598886 -0.932765 0.051468
N 1.611645 0.999896 0.089288
C -0.733431 0.246998 0.054945
C 0.746116 -0.179789 0.083105
C -2.982156 -0.883573 0.019203
C 2.995037 0.950402 0.115787
C -3.665622 -2.235300 0.024288
C 3.678598 2.302089 0.118080
C -3.668345 0.328849 -0.015156
C 3.681211 -0.262288 0.138421
C -5.125271 0.453898 -0.052578
C 5.138315 -0.387719 0.167101
C -5.668591 1.888539 -0.089584
C 5.681702 -1.822725 0.185578
H -0.928705 0.861437 -0.849800
H -0.957845 0.880324 0.939962
H 0.941174 -0.796728 0.986359
H 0.970660 -0.810696 -0.803440
H -1.157431 -1.852517 0.083403
H 1.170034 1.919935 0.070522
H -4.315932 -2.344890 -0.858800
H -2.927362 -3.059639 0.045300
H -4.342791 -2.325036 0.889425
H 4.325353 2.408669 1.004246
H 4.359182 2.394779 -0.743944
H 2.940453 3.126553 0.097376
H -3.102045 1.267424 -0.015320
H 3.114785 -1.200774 0.134497
H -5.295779 2.427091 -0.981612
H -6.768876 1.863422 -0.116026
H -5.339395 2.456868 0.801158
H 5.364406 -2.373607 -0.720377
H 6.781582 -1.797871 0.225882
H 5.297596 -2.378605 1.061942


