%chk=000127966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127966

0 1
 O    3.658800       1.852700     -1.8000000E-03
 O   -3.672200       1.875100      2.2000000E-02
 O    9.919000      -2.524600      0.9932000    
 O   -9.506800      -3.147600     -0.2411000    
 N    8.860900      -1.710300      -1.232800    
 N   -9.461100     -0.7877000      0.8390000    
 N    8.773100      -1.738500       1.148200    
 N   -8.285200      -2.477700     -0.3606000    
 C  -2.1100000E-02   1.318800     -0.6697000    
 C    1.247100       1.863000     -5.5999998E-03
 C   -1.278100       1.887600     -1.4100000E-02
 C    2.515000       1.334200     -0.6651000    
 C   -2.544100       1.319600     -0.6395000    
 C    4.784200       1.069500     -4.1000000E-03
 C   -4.804300       1.103400      6.8000004E-02
 C    5.028300      0.2027000      -1.069300    
 C   -5.689000       1.226400       1.139300    
 C    5.686100       1.141300       1.057600    
 C   -5.072700      0.1970000     -0.9578000    
 C    7.076000     -0.5210000     -1.1200000E-02
 C   -7.110400     -0.4638000      0.1594000    
 C    6.174100     -0.5925000      -1.072800    
 C   -6.842000      0.4428000       1.185000    
 C    6.831900      0.3460000       1.054100    
 C   -6.225700     -0.5866000     -0.9120000    
 C    8.271300      -1.349500     -1.4800000E-02
 C   -8.312900      -1.280400      0.2065000    
 H  -1.5900001E-02   1.573500      -1.736400    
 H  -2.8999999E-02  0.2244000     -0.5976000    
 H    1.252900       2.959500     -4.3400001E-02
 H    1.256800       1.600600       1.059900    
 H   -1.276300       1.669300       1.061300    
 H   -1.288800       2.981500     -9.7700000E-02
 H    2.480100      0.2381000     -0.6111000    
 H    2.543100       1.641700      -1.717000    
 H   -2.509700      0.2275000     -0.5330000    
 H   -2.587300       1.580200      -1.703400    
 H    4.364900      0.1348000      -1.926500    
 H   -5.482800       1.928400       1.942600    
 H    5.501800       1.816600       1.888800    
 H   -4.425800      9.2100002E-02  -1.823700    
 H    6.330600      -1.265800      -1.911100    
 H   -7.502300      0.5492000       2.041200    
 H    7.522900      0.4273000       1.889100    
 H   -6.419500      -1.274700      -1.730900    
 H    9.693700      -2.289400      -1.247300    
 H    8.517900      -1.374300      -2.126000    
 H   -10.30500      -1.349400      0.8794000    
 H   -9.511000      0.1471000       1.228900    
 H    10.14960      -2.717200       1.917700    
 H   -9.315800      -3.983900     -0.6982000    


%chk=000127966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127966

0 1
O 3.692517 0.997450 0.697277
O -3.703833 1.033637 0.768629
O 11.320179 -0.563576 -0.308965
O -10.801449 -1.744911 -1.229707
N 9.354048 -1.106647 -1.842493
N -10.112703 0.505543 -0.244833
N 9.999351 -0.152625 0.253072
N -9.336160 -1.640844 -0.957797
C -0.014977 0.337628 0.107700
C 1.276502 0.964530 0.680660
C -1.289479 0.975216 0.706329
C 2.532941 0.319333 0.091506
C -2.563157 0.347298 0.135756
C 4.972926 0.574865 0.313435
C -4.996073 0.619798 0.415726
C 5.233960 -0.459716 -0.618490
C -6.054394 1.295515 1.071770
C 6.052753 1.260128 0.929450
C -5.286702 -0.400792 -0.527028
C 7.658780 -0.115148 -0.325035
C -7.698523 -0.057721 -0.163439
C 6.571067 -0.797221 -0.925291
C -7.388359 0.955707 0.786236
C 7.375258 0.919912 0.611256
C -6.627936 -0.727186 -0.808869
C 9.064719 -0.463761 -0.651024
C -9.105527 -0.415124 -0.476179
H -0.025410 0.455015 -0.996339
H -0.017737 -0.754300 0.308589
H 1.297781 2.050386 0.468469
H 1.297644 0.850811 1.781175
H -1.292522 0.855602 1.806431
H -1.302493 2.062443 0.500373
H 2.569798 -0.765239 0.327827
H 2.563277 0.442785 -1.011969
H -2.608186 -0.738470 0.364209
H -2.612391 0.479921 -0.965799
H 4.419765 -1.011996 -1.096345
H -5.808898 2.068715 1.805970
H 5.826945 2.055507 1.646137
H -4.486206 -0.935720 -1.046106
H 6.754731 -1.631781 -1.611936
H -8.189913 1.458860 1.339092
H 8.211995 1.447361 1.078553
H -6.863671 -1.507808 -1.538558
H 10.329438 -1.341566 -2.018830
H 8.673260 -1.159595 -2.593091
H -11.065649 0.216634 -0.459238
H -9.905095 1.480686 -0.055754
H 11.936718 -0.323619 0.425294
H -10.883606 -2.678920 -1.542213


