%chk=000048216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048216

0 1
 O    3.164500     -0.6352000      0.1544000    
 O    1.348000      -1.916900     -0.4481000    
 O   -4.521300     -0.6260000      0.1603000    
 N    1.296300       4.020000     -0.5943000    
 C    1.030400      0.3363000      0.4493000    
 C    1.488300       1.589100     -0.3286000    
 C  -0.4665000      7.7000000E-02  0.3713000    
 C   0.8142000       2.872100      0.1663000    
 C    1.828900     -0.8805000     -8.7000001E-03
 C   -1.203900      6.8499997E-02   1.537600    
 C   -1.042200     -0.1421000     -0.8637000    
 C   -2.576500     -0.1696000       1.466000    
 C   -2.414900     -0.3801000     -0.9355000    
 C   -3.182100     -0.3937000      0.2295000    
 C    4.040200      -1.699600     -0.2306000    
 C    5.472200      -1.271800      1.0500000E-02
 C   -5.075800     -0.8475000      -1.135600    
 H    1.299100      0.4771000       1.506300    
 H    2.575400       1.708800     -0.2316000    
 H    1.297400       1.458100      -1.402100    
 H  -0.2728000       2.817800      5.3599998E-02
 H    1.029400       3.029400       1.228600    
 H  -0.7442000      0.2423000       2.505700    
 H  -0.4580000     -0.1355000      -1.778900    
 H   -3.169000     -0.1790000       2.376800    
 H   -2.820400     -0.5468000      -1.927600    
 H    1.110700       3.875500      -1.586300    
 H    2.309600       4.088000     -0.5066000    
 H    3.815000      -2.591300      0.3651000    
 H    3.895300      -1.925300      -1.292900    
 H    6.170400      -2.063800     -0.2742000    
 H    5.706700     -0.3698000     -0.5644000    
 H    5.628200      -1.025200       1.066000    
 H   -4.966200      3.4100000E-02  -1.776200    
 H   -6.149800      -1.015000      -1.003300    
 H   -4.666100      -1.751200      -1.599400    


%chk=000048216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048216

0 1
O 3.020578 -0.872360 0.273214
O 2.212579 -0.488211 -1.877591
O -4.137414 -1.019033 0.521675
N 0.767172 4.642035 -0.704264
C 1.321497 0.823186 0.032711
C 1.432508 2.177586 -0.732733
C -0.122542 0.311059 0.124611
C 0.703411 3.341795 -0.008954
C 2.201408 -0.222585 -0.651297
C -0.765984 0.197046 1.384671
C -0.851832 -0.043418 -1.035962
C -2.097872 -0.245618 1.486404
C -2.188889 -0.491882 -0.953063
C -2.815690 -0.590147 0.314429
C 3.904028 -1.951316 -0.273930
C 4.709098 -2.497524 0.900319
C -4.919610 -1.388934 -0.659816
H 1.709670 0.955375 1.059154
H 2.503263 2.442154 -0.852035
H 1.020294 2.052348 -1.752319
H -0.361046 3.080460 0.133853
H 1.132582 3.470475 1.004569
H -0.217700 0.458918 2.297610
H -0.363566 0.009902 -2.015919
H -2.599815 -0.331985 2.454837
H -2.721535 -0.763371 -1.869449
H 0.245383 4.668227 -1.586171
H 1.716958 5.011327 -0.817261
H 3.260500 -2.717773 -0.742475
H 4.542268 -1.510744 -1.061170
H 5.378775 -3.305269 0.552451
H 5.327947 -1.706115 1.356807
H 4.042488 -2.909453 1.677027
H -5.033097 -0.532437 -1.352863
H -5.905233 -1.684110 -0.271015
H -4.460082 -2.241410 -1.197356


