%chk=000048758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048758

0 1
 O   0.5872000      0.7375000       2.367200    
 O   0.6779000      0.5846000      -2.434700    
 O    2.202800      -2.908000      0.1095000    
 N    1.382800      -1.067000       1.208100    
 N    1.429600      -1.140600      -1.134200    
 C   0.5027000      0.8626000     -4.2300001E-02
 C    1.185100       2.236700     -7.7200003E-02
 C  -0.9932000       1.006300     -7.0100002E-02
 C   0.8232000      0.1963000       1.284900    
 C   0.8733000      0.1139000      -1.312200    
 C   -3.344500      0.1187000     -2.6300000E-02
 C   -1.844300     -2.8000001E-02  1.5000000E-03
 C    2.689400       2.102100      2.7600000E-02
 C    1.704100      -1.782000      6.4300001E-02
 C   -3.924400     -0.6145000      -1.235500    
 C   -3.951600     -0.4185000       1.269400    
 H   0.8333000       2.869300      0.7487000    
 H   0.9414000       2.774900      -1.002600    
 H   -1.402600       2.010600     -0.1564000    
 H   -3.615200       1.178900     -0.1122000    
 H   -1.458200      -1.041500      8.3400004E-02
 H    3.002400       1.653600      0.9753000    
 H    3.109400       1.509100     -0.7906000    
 H    3.150800       3.094400     -2.4000000E-02
 H    1.587000      -1.522000       2.093600    
 H    1.668000      -1.650200      -1.980600    
 H   -3.508400     -0.2201000      -2.169400    
 H   -5.012200     -0.4920000      -1.277200    
 H   -3.708300      -1.688200      -1.197900    
 H   -3.736400      -1.484700       1.403900    
 H   -5.039800     -0.2929000       1.268000    
 H   -3.555300      0.1170000       2.139400    


%chk=000048758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048758

0 1
O 0.607638 -0.187536 2.136778
O 1.271627 1.237131 -2.459198
O 2.574040 -2.980286 -1.006257
N 1.526113 -1.557459 0.524817
N 1.877235 -0.859971 -1.703722
C 0.573243 0.661928 -0.172087
C 0.936998 2.102816 0.328072
C -0.939069 0.611836 -0.496999
C 0.903492 -0.359757 0.926100
C 1.275466 0.398385 -1.522477
C -3.389479 0.055832 -0.115783
C -1.913550 0.022187 0.238827
C 2.442097 2.319794 0.587226
C 2.024619 -1.881135 -0.749162
C -3.924736 -1.386513 -0.325225
C -4.194282 0.783042 0.994650
H 0.359463 2.270871 1.253706
H 0.577163 2.814560 -0.435897
H -1.192654 1.160369 -1.415872
H -3.514443 0.616848 -1.063772
H -1.662057 -0.505411 1.171610
H 2.824655 1.635226 1.366392
H 3.038964 2.180503 -0.332640
H 2.618061 3.351238 0.940736
H 1.675825 -2.266267 1.250684
H 2.270982 -1.057782 -2.629662
H -3.384126 -1.901719 -1.139243
H -5.000394 -1.367530 -0.580787
H -3.806510 -1.985630 0.597693
H -4.080930 0.264251 1.965506
H -5.271118 0.802420 0.743965
H -3.848331 1.824060 1.123421


