%chk=000012602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012602

0 1
 O   0.9516000      0.3376000     -0.8683000    
 O  -7.4000001E-02  -2.674700      0.5002000    
 N    3.047900      0.6925000     -2.1800000E-02
 N    1.758200      -1.259800      0.5019000    
 C  -6.7000002E-02 -0.6666000     -0.8473000    
 C   -1.346400     -6.8800002E-02 -0.3670000    
 C    1.962100     -0.1257000     -7.9499997E-02
 C   0.5048000      -1.665100      0.1217000    
 C   -2.562200     -0.6723000     -0.6884000    
 C   -1.327000       1.093900      0.4033000    
 C    3.080400       1.941600     -0.7596000    
 C    4.092900      0.4776000      0.9617000    
 C   -3.758700     -0.1131000     -0.2396000    
 C   -2.523500       1.653200      0.8522000    
 C   -3.739200       1.049600      0.5306000    
 H  -0.1477000      -1.098000      -1.849900    
 H   -2.589300      -1.578900      -1.287200    
 H  -0.4001000       1.585500      0.6841000    
 H    4.069300       2.411200     -0.7210000    
 H    2.357800       2.650700     -0.3418000    
 H    2.845900       1.778500      -1.817100    
 H    5.047200      0.9003000      0.6299000    
 H    4.262400     -0.5899000       1.139000    
 H    3.818400      0.9474000       1.911600    
 H   -4.705300     -0.5831000     -0.4895000    
 H   -2.508800       2.556800       1.454400    
 H   -4.670800       1.484700      0.8808000    


%chk=000012602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012602

0 1
O 0.993624 0.522540 -0.930473
O -0.031326 -2.776658 0.113752
N 3.087493 0.753426 0.120318
N 1.782346 -1.243964 0.408852
C -0.081227 -0.513069 -0.959697
C -1.399840 0.028364 -0.435752
C 1.995778 -0.019707 -0.090665
C 0.531518 -1.675501 -0.080533
C -2.522947 -0.838208 -0.408444
C -1.532793 1.360492 0.023077
C 3.238932 2.089170 -0.480939
C 4.175698 0.256507 0.983002
C -3.763767 -0.371649 0.076268
C -2.778257 1.822694 0.506486
C -3.897435 0.960445 0.533645
H -0.167881 -0.856950 -2.005929
H -2.414797 -1.877233 -0.737917
H -0.667237 2.029040 -0.005516
H 4.154519 2.122920 -1.100566
H 3.321508 2.856781 0.311339
H 2.369932 2.316167 -1.113744
H 5.121828 0.210615 0.412179
H 3.910793 -0.749434 1.339311
H 4.312379 0.930954 1.848701
H -4.624263 -1.049383 0.100341
H -2.873360 2.856143 0.858655
H -4.862319 1.320595 0.907649


