%chk=000129063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129063

0 1
 O    3.590200       1.704000      0.4512000    
 O   -2.202600     -0.3351000      0.9147000    
 O   -2.495000       3.410700      0.7680000    
 N   -1.428700      -3.944800      0.6578000    
 N    5.460300      -1.186700     -0.9187000    
 N   -3.765800     -0.7603000     -0.7349000    
 C    4.061700      0.3571000      0.4242000    
 C   -2.343200      -1.714200       1.232700    
 C    4.956200      0.1750000     -0.8044000    
 C   -1.331600      -2.513300      0.4075000    
 C    4.789100      9.7199999E-02   1.737200    
 C   -2.140600      -1.863600       2.735200    
 C    2.234700       1.879200      0.3959000    
 C   -2.962200      0.1388000     -0.1236000    
 C   -2.874000       1.473100     -0.4862000    
 C   -2.601200      -4.509000     -1.4200000E-02
 C  -0.2127000      -4.630700      0.2154000    
 C    4.411500      -2.087600      -1.401800    
 C    6.620300      -1.235400      -1.811600    
 C  -0.5291000       2.240600      0.2814000    
 C   -1.969900       2.429400      0.2212000    
 C    1.514500       1.407500     -0.7016000    
 C    1.573000       2.531800       1.436100    
 C   0.1327000       1.588100     -0.7588000    
 C   0.1911000       2.712400       1.378900    
 C   -3.661400       1.913300      -1.544300    
 C   -4.500900       1.018400      -2.198200    
 C   -4.516300     -0.2957000      -1.759100    
 H    3.214500     -0.3387000      0.3845000    
 H   -3.368900      -2.057000       1.056100    
 H    5.792400      0.8812000     -0.7009000    
 H    4.431700      0.4926000      -1.715400    
 H  -0.3320000      -2.147700      0.6840000    
 H   -1.426100      -2.285500     -0.6627000    
 H    5.648500      0.7678000       1.847600    
 H    5.139400     -0.9363000       1.813000    
 H    4.126400      0.2970000       2.586800    
 H   -1.135800      -1.539000       3.027900    
 H   -2.285800      -2.895600       3.068000    
 H   -2.845000      -1.224700       3.279500    
 H   -2.576700      -4.346100      -1.098000    
 H   -2.657200      -5.589400      0.1636000    
 H   -3.534300      -4.094300      0.3782000    
 H  -0.2750000      -5.703300      0.4311000    
 H  -3.4800000E-02  -4.503500     -0.8586000    
 H   0.6619000      -4.254700      0.7582000    
 H    3.580000      -2.161000     -0.6947000    
 H    4.804200      -3.105900      -1.505700    
 H    4.014500      -1.778100      -2.375500    
 H    7.432300     -0.6100000      -1.423900    
 H    6.375300     -0.8969000      -2.824900    
 H    7.016100      -2.255300      -1.873800    
 H    2.015400      0.9074000      -1.525600    
 H    2.129100       2.900100       2.293900    
 H  -0.3995000       1.222400      -1.632700    
 H  -0.3071000       3.218800       2.201400    
 H   -3.627800       2.949700      -1.869200    
 H   -5.123000       1.339000      -3.025900    
 H   -5.153300      -1.033400      -2.235700    


%chk=000129063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129063

0 1
O 3.653411 1.229048 1.327403
O -2.329232 -0.341881 0.810775
O -2.190163 3.583799 0.139490
N -2.066980 -4.114953 0.775773
N 5.634377 -0.681677 -1.283372
N -3.833510 -0.737238 -0.972518
C 4.443277 0.083737 0.788772
C -2.600821 -1.737381 1.296431
C 4.968585 0.462287 -0.619921
C -1.668358 -2.710156 0.533634
C 5.570776 -0.155008 1.791204
C -2.342931 -1.711931 2.800408
C 2.332283 1.423914 0.921772
C -2.959140 0.092218 -0.342439
C -2.694281 1.433152 -0.773119
C -3.174979 -4.556997 -0.097544
C -0.938662 -5.065094 0.766035
C 4.681650 -1.640010 -1.881363
C 6.673486 -0.263797 -2.248266
C -0.376174 2.010979 0.281350
C -1.767102 2.400904 -0.076568
C 1.613867 0.580400 0.031200
C 1.694727 2.563407 1.485745
C 0.270738 0.875638 -0.270339
C 0.364709 2.853858 1.159926
C -3.459116 1.909877 -1.862464
C -4.376300 1.062580 -2.524559
C -4.515888 -0.258743 -2.051908
H 3.787448 -0.808195 0.738086
H -3.653975 -1.974220 1.065671
H 5.706019 1.275656 -0.490790
H 4.131974 0.877105 -1.234367
H -0.635507 -2.560362 0.900412
H -1.683088 -2.451953 -0.552534
H 6.133013 0.780417 1.960509
H 6.257539 -0.915227 1.380978
H 5.175434 -0.503147 2.760477
H -1.334798 -1.314427 3.015199
H -2.412196 -2.744709 3.184519
H -3.083295 -1.082464 3.322749
H -2.862306 -4.676710 -1.165790
H -3.566368 -5.527051 0.258876
H -3.995726 -3.820778 -0.073619
H -1.299200 -6.068066 1.059282
H -0.442291 -5.162562 -0.233501
H -0.175875 -4.750309 1.500028
H 3.987735 -2.028202 -1.114552
H 5.235147 -2.502486 -2.292904
H 4.072079 -1.192243 -2.707158
H 7.415827 0.377710 -1.742133
H 6.267263 0.299379 -3.125643
H 7.200012 -1.155980 -2.632609
H 2.085401 -0.292338 -0.428393
H 2.268879 3.194731 2.170388
H -0.274076 0.222595 -0.959950
H -0.134457 3.736563 1.572323
H -3.320955 2.950431 -2.173171
H -4.961519 1.412222 -3.379171
H -5.196884 -0.966511 -2.538148


