%chk=000052560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052560

0 1
 O   -3.977900      0.4621000     -0.5682000    
 O   -3.434500      3.7999999E-02   1.633500    
 N    2.287000      -2.060500     -0.4871000    
 C   0.5710000     -0.9532000      0.3824000    
 C    1.636900     -3.2800000E-02  0.1784000    
 C  -0.7601000     -0.6380000      0.9420000    
 C    1.001000      -2.191300     -3.6300000E-02
 C    2.701400     -0.7530000     -0.3680000    
 C   -1.785400     -0.2386000     -0.1328000    
 C    1.798800       1.348200      0.4068000    
 C    3.924600     -0.1590000     -0.6985000    
 C    3.016700       1.955900      8.0899999E-02
 C   0.3175000      -3.499100     -5.7100002E-02
 C    4.061900       1.212000     -0.4631000    
 C   -3.141400      9.3699999E-02  0.4472000    
 C    3.196100       3.418500      0.3203000    
 C   -5.309800      0.8077000     -0.1748000    
 C   -6.104100       1.189500      -1.405700    
 H   -1.143100      -1.499900       1.504000    
 H  -0.6733000      0.1709000       1.678900    
 H    2.854700      -2.811700     -0.8550000    
 H   -1.912800      -1.060600     -0.8469000    
 H   -1.423000      0.6420000     -0.6767000    
 H   0.9867000       1.932100      0.8316000    
 H    4.739000     -0.7374000      -1.121600    
 H   0.1509000      -3.858500      0.9634000    
 H  -0.6545000      -3.418900     -0.5545000    
 H   0.9013000      -4.257200     -0.5897000    
 H    5.005900       1.692100     -0.7114000    
 H    3.592300       3.588300       1.326400    
 H    3.887100       3.856800     -0.4078000    
 H    2.246000       3.954700      0.2219000    
 H   -5.779700     -5.1199999E-02  0.3172000    
 H   -5.277100       1.652900      0.5215000    
 H   -7.130000       1.460300      -1.140700    
 H   -5.636100       2.036100      -1.918900    
 H   -6.130500      0.3600000      -2.120000    


%chk=000052560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052560

0 1
O -4.005720 0.488059 -0.623493
O -3.267235 0.718949 1.574486
N 2.384742 -2.155700 -0.470129
C 0.562856 -1.071152 0.382259
C 1.634820 -0.106039 0.190483
C -0.818564 -0.756248 0.900210
C 1.054118 -2.316159 -0.031691
C 2.764507 -0.814115 -0.345846
C -1.714576 -0.089612 -0.179345
C 1.748381 1.289563 0.432524
C 3.980649 -0.164263 -0.644327
C 2.955802 1.960149 0.141024
C 0.399759 -3.668440 -0.061895
C 4.057746 1.220910 -0.397360
C -3.036633 0.403640 0.383068
C 3.103652 3.453182 0.390254
C -5.340140 1.022499 -0.206961
C -6.220030 1.027298 -1.452888
H -1.319673 -1.671729 1.266124
H -0.760415 -0.074576 1.769141
H 2.976399 -2.908804 -0.814126
H -1.908983 -0.773725 -1.023503
H -1.183905 0.783237 -0.609425
H 0.904384 1.848846 0.855094
H 4.839995 -0.708706 -1.052341
H 0.964593 -4.413539 0.531804
H -0.617306 -3.612711 0.358757
H 0.311117 -4.063089 -1.093137
H 4.991108 1.752827 -0.620327
H 3.938826 3.667251 1.084205
H 3.313045 4.001909 -0.548125
H 2.186195 3.881580 0.829963
H -5.739669 0.374085 0.593778
H -5.193244 2.034003 0.213596
H -7.223464 1.417356 -1.202179
H -5.785025 1.666791 -2.239885
H -6.334612 0.007374 -1.858189


