%chk=000017869.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017869

0 1
 O   0.5129000      0.2780000     -3.8199998E-02
 O    1.637100      -1.718200     -0.2617000    
 N   -3.155600     -3.2900002E-02 -0.2616000    
 C   -1.862600      0.6146000     -9.7599998E-02
 C  -0.7371000     -0.4037000     -0.1871000    
 C   -4.238200      0.9530000     -0.2173000    
 C   -3.358900      -1.053100      0.7699000    
 C    1.623300     -0.5065000     -9.6199997E-02
 C    2.839300      0.3366000      7.4600004E-02
 C    2.712100       1.816200      0.2716000    
 C    4.027800     -0.2840000      4.3600000E-02
 H   -1.793300       1.158000      0.8545000    
 H   -1.711000       1.365500     -0.8840000    
 H  -0.7561000     -0.9137000      -1.157900    
 H  -0.7912000      -1.145200      0.6160000    
 H   -4.107400       1.703000      -1.005400    
 H   -4.286500       1.470400      0.7477000    
 H   -5.205600      0.4724000     -0.4014000    
 H   -2.734400      -1.935400      0.6002000    
 H   -4.389300      -1.428300      0.7364000    
 H   -3.179100     -0.6689000       1.780600    
 H    2.212800       2.277100     -0.5870000    
 H    2.133000       2.035600       1.174600    
 H    3.688800       2.299400      0.3821000    
 H    4.950600      0.2754000      0.1622000    
 H    4.125800      -1.355000     -9.8700002E-02


%chk=000017869-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017869

0 1
O 0.548273 0.289380 -0.090170
O 1.695053 -1.731492 -0.279935
N -3.183308 -0.048497 -0.142342
C -1.845723 0.541605 0.092545
C -0.732912 -0.451870 -0.262442
C -4.232342 0.981606 -0.287668
C -3.555337 -1.071938 0.857921
C 1.715487 -0.485086 -0.124242
C 2.936696 0.371634 0.048373
C 2.765933 1.868222 0.207459
C 4.143133 -0.259940 0.050643
H -1.707482 0.890450 1.147290
H -1.736849 1.426948 -0.560002
H -0.820485 -0.785184 -1.311266
H -0.712998 -1.343256 0.388624
H -3.965291 1.673879 -1.105610
H -4.396155 1.586246 0.640520
H -5.190243 0.498016 -0.550288
H -2.823099 -1.897154 0.861852
H -4.538187 -1.500839 0.594474
H -3.622744 -0.662347 1.898389
H 2.248221 2.302563 -0.666534
H 2.142488 2.104380 1.088401
H 3.745258 2.363019 0.321960
H 5.078363 0.297152 0.171878
H 4.201451 -1.347195 -0.069931


