%chk=000068912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068912

0 1
 O   0.2533000      -1.232400       1.102600    
 O    2.151600      -1.927600     -5.7000001E-03
 N   -3.712800      0.1349000      0.5769000    
 N    1.067300      0.6456000     -4.9300000E-02
 C   -3.930500      0.4715000     -0.8432000    
 C   -5.276000       1.205500      -1.000800    
 C   -4.790400     -0.6753000       1.155600    
 C   -6.443100      0.4193000     -0.4111000    
 C   -6.142900      2.6100000E-02   1.029900    
 C   -2.407800     -0.4694000      0.8297000    
 C   -3.831500     -0.7113000      -1.819200    
 C   -1.298500      0.4011000      0.2479000    
 C   8.7600000E-02 -0.1786000      0.4971000    
 C    2.469000      0.4515000     -2.6799999E-02
 C    3.313000       1.551900     -2.6200000E-02
 C    2.973500     -0.8400000     -5.5000000E-03
 C    4.693900       1.356100     -3.8000001E-03
 C    5.214600      6.2399998E-02  1.7800000E-02
 C    4.354400      -1.035700      1.6799999E-02
 C    2.784600       2.949500     -4.8900001E-02
 C    6.691000     -0.1472000      4.1999999E-02
 C    1.779800      -2.457700      -1.276000    
 H   -3.200900       1.223400      -1.162800    
 H   -5.474300       1.419600      -2.057800    
 H   -5.214900       2.178000     -0.4937000    
 H   -4.598000     -0.8390000       2.223300    
 H   -4.839500      -1.666100      0.6878000    
 H   -6.631800     -0.4798000      -1.009000    
 H   -7.356600       1.023200     -0.4496000    
 H   -6.146400      0.9256000       1.658900    
 H   -6.936300     -0.6285000       1.408000    
 H   -2.346600      -1.487100      0.4237000    
 H   -2.250800     -0.5569000       1.912700    
 H   -4.032200     -0.3754000      -2.842900    
 H   -2.831800      -1.155700      -1.822000    
 H   -4.550000      -1.503800      -1.589900    
 H   -1.334500       1.408200      0.6814000    
 H   -1.364100      0.4874000     -0.8416000    
 H   0.7575000       1.570300     -0.3372000    
 H    5.369100       2.208700     -5.5999998E-03
 H    4.755400      -2.046300      3.2499999E-02
 H    2.264200       3.147300     -0.9918000    
 H    2.100600       3.118900      0.7896000    
 H    3.588000       3.689000      4.1200001E-02
 H    7.195100      0.6602000      0.5841000    
 H    6.950200      -1.083000      0.5488000    
 H    7.082000     -0.1824000     -0.9796000    
 H    2.656500      -2.870400      -1.785100    
 H    1.311700      -1.691200      -1.901800    
 H    1.059200      -3.264000      -1.113600    


%chk=000068912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068912

0 1
O 0.102396 -1.046107 1.281503
O 2.669435 -0.470661 -2.463332
N -3.726539 0.653414 -0.098230
N 1.046080 0.185672 -0.485347
C -4.434310 -0.545600 -0.651076
C -5.698198 -0.076097 -1.419138
C -4.580843 1.498868 0.776489
C -6.631055 0.789898 -0.542845
C -5.840493 1.985834 0.031854
C -2.409704 0.377473 0.524282
C -4.763171 -1.649883 0.397990
C -1.384776 -0.209743 -0.477013
C -0.022339 -0.403505 0.196138
C 2.435145 0.086801 -0.158211
C 2.973136 0.389481 1.119728
C 3.315579 -0.271744 -1.224283
C 4.375493 0.251143 1.306178
C 5.246328 -0.142156 0.267376
C 4.703047 -0.386184 -1.021194
C 2.107261 0.900213 2.251285
C 6.738374 -0.296332 0.509421
C 3.499394 -0.843273 -3.609330
H -3.754378 -0.996991 -1.400228
H -6.237230 -0.962557 -1.806110
H -5.370479 0.523093 -2.291096
H -3.976296 2.369996 1.094484
H -4.889116 0.965015 1.712310
H -7.046545 0.184190 0.287246
H -7.492999 1.144650 -1.139460
H -5.528589 2.651932 -0.796221
H -6.469759 2.579647 0.722939
H -2.465096 -0.303675 1.405281
H -2.018856 1.344399 0.897501
H -5.254900 -2.506789 -0.098779
H -3.847397 -2.029189 0.886596
H -5.441832 -1.285286 1.189272
H -1.326936 0.449789 -1.362758
H -1.722196 -1.207222 -0.817610
H 0.859472 0.466502 -1.452765
H 4.792143 0.475782 2.295214
H 5.369352 -0.669135 -1.842493
H 1.399083 1.670775 1.892374
H 1.492303 0.084783 2.671894
H 2.728017 1.341018 3.049842
H 7.038123 -1.362178 0.495419
H 7.332751 0.219752 -0.267307
H 7.030274 0.117327 1.489806
H 4.016004 -1.805611 -3.429835
H 4.245571 -0.057806 -3.838021
H 2.800168 -0.949319 -4.451943


