%chk=000003169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003169

0 1
 O   -5.287400     -0.6267000     -0.7134000    
 O   -5.160500       1.940800      0.4043000    
 N   -1.698000     -0.5879000      0.2168000    
 N    1.124800     -0.2259000     -2.8899999E-02
 C   -1.143100      0.1972000     -0.8925000    
 C  -0.7767000      -1.675600      0.5686000    
 C   0.2068000      0.8103000     -0.5116000    
 C   0.5845000      -1.124400      0.9991000    
 C   -3.011200      -1.123400     -0.1400000    
 C   -4.030300     -1.4300000E-02 -0.4118000    
 C    2.504000      1.0400000E-02 -3.6699999E-02
 C   -4.222300      0.9335000      0.7701000    
 C    3.018400       1.313300      0.1172000    
 C    3.420500      -1.048000     -0.1976000    
 C    4.393300       1.548300      0.1106000    
 C    4.795400     -0.8129000     -0.2042000    
 C    5.281800      0.4852000     -5.0000001E-02
 H   -1.024600     -0.4260000      -1.789100    
 H   -1.786500       1.040100      -1.160400    
 H   -1.186600      -2.260700       1.400800    
 H  -0.6437000      -2.361300     -0.2792000    
 H   0.6176000       1.307800      -1.399000    
 H   6.0699999E-02   1.570500      0.2666000    
 H   0.4877000     -0.5741000       1.944000    
 H    1.252200      -1.973200       1.186500    
 H   -2.953600      -1.788200      -1.013000    
 H   -3.394700      -1.745700      0.6800000    
 H   -3.775200      0.5532000      -1.312300    
 H   -3.291700       1.436100       1.046700    
 H   -4.616300      0.4101000       1.647700    
 H    2.357400       2.164900      0.2577000    
 H    3.064600      -2.066900     -0.3324000    
 H   -5.882900      6.7199998E-02  -1.043200    
 H    4.772500       2.558700      0.2335000    
 H    5.487300      -1.640200     -0.3321000    
 H    6.352300      0.6682000     -5.5100001E-02
 H   -6.036600       1.522800      0.3549000    


%chk=000003169-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003169

0 1
O -5.475998 -0.387227 -0.653678
O -5.382533 1.728902 1.170202
N -1.731027 -0.487806 0.018881
N 1.152669 -0.185946 -0.072060
C -1.077629 0.335605 -1.028304
C -0.834559 -1.606583 0.402777
C 0.268690 0.898662 -0.535955
C 0.501151 -1.060086 0.930488
C -3.083233 -0.951831 -0.366810
C -4.148111 0.161624 -0.278698
C 2.556158 0.021307 -0.025817
C -4.349500 0.692700 1.144365
C 3.139441 1.288386 -0.334060
C 3.442714 -1.053757 0.292602
C 4.540560 1.459843 -0.338144
C 4.838296 -0.866762 0.296342
C 5.406368 0.389923 -0.022312
H -0.899102 -0.267174 -1.955863
H -1.733758 1.183694 -1.293742
H -1.324501 -2.195131 1.200122
H -0.633329 -2.287516 -0.463038
H 0.748376 1.419975 -1.382105
H 0.078531 1.645085 0.270341
H 0.306287 -0.489668 1.867678
H 1.160460 -1.904583 1.182064
H -3.095944 -1.387479 -1.401676
H -3.388081 -1.760295 0.324504
H -3.904431 1.013120 -0.948011
H -3.422373 1.159819 1.508261
H -4.616048 -0.157997 1.808608
H 2.505978 2.154229 -0.547332
H 3.045223 -2.050796 0.507827
H -5.492895 -0.595043 -1.620948
H 4.954367 2.446726 -0.577067
H 5.488435 -1.715886 0.538141
H 6.492309 0.529107 -0.021616
H -6.173059 1.346063 0.706633


