%chk=000145627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145627

0 1
 O  -0.6304000       3.067900      0.8986000    
 O   -3.496200      0.8535000       1.572000    
 O    1.089200      0.3459000      -2.274000    
 O   -2.183000      -2.186500      -1.520400    
 O    3.625300      0.7441000      0.2624000    
 O    4.812700      -1.131500     -0.3425000    
 N    1.281100     -0.3460000     -6.9100000E-02
 N  -0.9747000      -2.084900      0.4508000    
 N  -0.2284000       1.396400     -0.6782000    
 N   -2.467800     -0.3281000     -0.1559000    
 C   0.7679000     -0.3828000       1.324300    
 C  -0.4375000      -1.316300       1.601800    
 C  -7.2099999E-02  0.8327000       1.715600    
 C   -1.289900     -0.1103000       1.999100    
 C  -0.3251000       1.900800      0.6317000    
 C   -2.545100      0.1863000       1.151300    
 C   0.7359000      0.4473000      -1.094500    
 C   -1.891000      -1.576100     -0.4863000    
 C    2.414600      -1.217800     -0.3618000    
 C   -1.094500       1.997800      -1.700700    
 C   -3.134700      0.4279000      -1.223700    
 C  -0.4285000      -3.416000      0.2212000    
 C   -2.130900      0.9938000      -2.254400    
 C    3.751500     -0.5466000     -0.1518000    
 C    4.851600       1.448600      0.4845000    
 H    1.590400     -0.5486000       2.033700    
 H  -0.2614000      -1.980700       2.458500    
 H   0.3013000       1.303000       2.636200    
 H   -1.546700     -0.1315000       3.067800    
 H    2.360500      -2.094800      0.2910000    
 H    2.362100      -1.543500      -1.405400    
 H  -0.4617000       2.347600      -2.524400    
 H   -1.622500       2.866400      -1.293300    
 H   -3.717300       1.253900     -0.8023000    
 H   -3.831000     -0.2453000      -1.736900    
 H   0.1487000      -3.754200       1.085300    
 H   0.2122000      -3.384200     -0.6647000    
 H   -1.249400      -4.114900      3.3799998E-02
 H   -1.605900      0.1646000      -2.742900    
 H   -2.704300       1.499800      -3.040900    
 H    5.427600       1.507700     -0.4439000    
 H    5.432900      0.9579000       1.270900    
 H    4.605900       2.462800      0.8104000    


%chk=000145627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145627

0 1
O -0.814259 3.048225 0.828799
O -3.313715 1.087593 1.592129
O 0.915261 0.317861 -2.440473
O -2.250851 -2.218934 -1.446888
O 3.718762 0.757170 0.379144
O 4.879570 -1.183533 -0.187757
N 1.290762 -0.296061 -0.215651
N -0.996986 -2.111120 0.527121
N -0.309415 1.405252 -0.767190
N -2.489245 -0.329925 -0.084673
C 0.850499 -0.331835 1.170383
C -0.379292 -1.299515 1.563515
C 0.021300 0.907238 1.636429
C -1.209358 -0.058198 2.020179
C -0.355877 1.908746 0.557869
C -2.453633 0.254389 1.203288
C 0.650186 0.449291 -1.211264
C -1.906604 -1.599002 -0.400504
C 2.461745 -1.081034 -0.605974
C -1.234359 1.971609 -1.793168
C -3.236373 0.364262 -1.174918
C -0.474504 -3.472165 0.310534
C -2.279026 0.924043 -2.260913
C 3.811642 -0.536782 -0.121338
C 5.004825 1.377722 0.794109
H 1.727775 -0.513252 1.812630
H -0.102170 -1.957562 2.405516
H 0.427635 1.446770 2.503789
H -1.463160 -0.022771 3.089428
H 2.388098 -2.126157 -0.253796
H 2.489183 -1.110866 -1.711627
H -0.643705 2.307573 -2.661502
H -1.710543 2.849040 -1.324825
H -3.819110 1.162631 -0.685954
H -3.932436 -0.351572 -1.642134
H -0.527884 -4.049420 1.251617
H 0.573814 -3.457723 -0.043974
H -1.088802 -3.960494 -0.460409
H -1.762969 0.086710 -2.762683
H -2.908262 1.412428 -3.030851
H 5.686039 1.441292 -0.070147
H 5.479068 0.777393 1.588345
H 4.727773 2.376782 1.156692


