%chk=000089531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089531

0 1
 O   -1.844000      -1.289000       1.080800    
 O    3.154900      0.9826000       1.664600    
 O   -5.379700       2.004400      -1.201900    
 N    3.847300     -0.6508000      9.1300003E-02
 N    3.292700      -1.748700     -0.5305000    
 N   0.6636000      2.2299999E-02  0.3301000    
 N  -3.0700000E-02  0.5738000       1.211600    
 C    1.707900     -0.8213000      0.9101000    
 C   -2.287800      0.8932000      0.2770000    
 C   -3.218100       1.747200     -0.3189000    
 C   -3.981400      -1.006500      0.1985000    
 C   -4.911600     -0.1524000     -0.3978000    
 C    2.083000      -1.868200     -8.3200000E-02
 C   -2.635600     -0.5148000      0.5578000    
 C   -1.015300       1.371300      0.6120000    
 C    2.970400     -1.3300000E-02  0.9852000    
 C   -4.563900       1.255500     -0.6785000    
 C   -2.876100       3.079500     -0.5794000    
 C    5.147700     -0.2802000     -0.2115000    
 C  -0.6785000       2.699600      0.3502000    
 C   -4.323400      -2.338800      0.4592000    
 C   -6.183800     -0.6309000     -0.7336000    
 C    1.145400      -2.947700     -0.5015000    
 C   -1.606900       3.552000     -0.2440000    
 C   -5.592300      -2.811400      0.1228000    
 C   -6.520300      -1.959400     -0.4725000    
 C    5.723400      0.8407000      0.3979000    
 C    5.898700      -1.022500      -1.130200    
 C    7.032200       1.214000      9.2799999E-02
 C    7.207700     -0.6492000      -1.435000    
 C    7.774600      0.4690000     -0.8236000    
 H    1.455200      -1.272100       1.874500    
 H   -3.582000       3.764100      -1.042100    
 H   0.3061000       3.083100      0.6066000    
 H   -3.619300      -3.025000      0.9221000    
 H   -6.925300      1.3300000E-02  -1.198400    
 H   0.7973000      -3.488100      0.3826000    
 H    1.646100      -3.646500      -1.176600    
 H   0.2860000      -2.507700      -1.013800    
 H   -1.342400       4.585900     -0.4465000    
 H   -5.856900      -3.845200      0.3251000    
 H   -7.507500      -2.330000     -0.7335000    
 H    5.214400       1.467400       1.117100    
 H    5.494200      -1.900000      -1.627800    
 H    7.474900       2.084500      0.5682000    
 H    7.786100      -1.229000      -2.148400    
 H    8.793700      0.7596000      -1.061000    


%chk=000089531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089531

0 1
O -1.902703 -1.521518 0.069189
O 3.455097 1.393582 1.400612
O -5.965841 2.136201 -0.603423
N 4.189206 -0.482279 0.099818
N 3.598509 -1.670081 -0.462480
N 0.901725 0.363233 -0.012613
N -0.220295 0.378490 0.628642
C 1.919636 -0.470163 0.695433
C -2.569778 0.788888 -0.022899
C -3.608588 1.734601 -0.270030
C -4.280402 -1.100427 0.006903
C -5.330590 -0.157393 -0.197163
C 2.318437 -1.676624 -0.146779
C -2.851061 -0.667177 0.028324
C -1.231689 1.258786 0.141409
C 3.256997 0.304915 0.804263
C -5.037360 1.296287 -0.381035
C -3.305825 3.109489 -0.407229
C 5.585599 -0.258428 -0.109120
C -0.936885 2.639461 -0.007609
C -4.591417 -2.473597 0.164061
C -6.675022 -0.601622 -0.240642
C 1.375818 -2.753881 -0.574980
C -1.971324 3.554081 -0.292412
C -5.932276 -2.905872 0.128842
C -6.976708 -1.967979 -0.074738
C 6.213740 0.908558 0.402210
C 6.339013 -1.217947 -0.834500
C 7.593734 1.101294 0.179714
C 7.716432 -1.005053 -1.045210
C 8.353964 0.152727 -0.541429
H 1.551793 -0.771607 1.696948
H -4.128150 3.803434 -0.605132
H 0.098036 2.972131 0.122410
H -3.767337 -3.178732 0.310588
H -7.460130 0.142945 -0.405883
H 0.963625 -3.288227 0.301827
H 1.887345 -3.476633 -1.229829
H 0.506582 -2.321709 -1.103135
H -1.734499 4.615734 -0.416274
H -6.168481 -3.967541 0.256571
H -8.017548 -2.306916 -0.105178
H 5.629562 1.642471 0.960856
H 5.838618 -2.108063 -1.221315
H 8.074011 2.003004 0.575623
H 8.292577 -1.748855 -1.606730
H 9.424550 0.312312 -0.708573


