%chk=000038321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038321

0 1
 O   -5.525900      0.3872000     -2.7300000E-02
 O   -3.722500       1.129800       1.134800    
 N    2.209900     -0.2989000      0.2801000    
 C   0.8428000     -0.3481000      5.4800000E-02
 C   -1.931800     -0.4488000     -0.4023000    
 C    3.102800      0.6054000     -0.4022000    
 C   0.2342000      0.5085000     -0.8809000    
 C   2.8600000E-02  -1.256100      0.7562000    
 C   -1.141200      0.4585000      -1.107500    
 C   -1.346800      -1.306100      0.5296000    
 C   -3.402300     -0.5021000     -0.6443000    
 C    4.516200      0.3509000      4.6300001E-02
 C    5.080300      -1.016300     -0.2185000    
 C   -4.196900      0.4248000      0.2547000    
 C    5.252400       1.311300      0.6266000    
 H    2.815200       1.643900     -0.1969000    
 H    3.053800      0.4522000      -1.487400    
 H    2.573700     -0.8923000       1.018100    
 H   0.8112000       1.231200      -1.451500    
 H   0.4682000      -1.931800       1.486600    
 H   -1.585500       1.133200      -1.834500    
 H   -1.952000      -2.016100       1.087100    
 H   -3.769300      -1.524000     -0.4902000    
 H   -3.616400     -0.2345000      -1.686200    
 H    4.557200      -1.779100      0.3659000    
 H    4.986700      -1.265900      -1.280600    
 H    6.143200      -1.077000      3.9700001E-02
 H    4.849200       2.302500      0.8061000    
 H    6.275600       1.128400      0.9375000    
 H   -6.039900      0.9865000      0.5550000    


%chk=000038321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038321

0 1
O -4.734169 1.245107 -0.218171
O -4.627334 -0.402782 1.415121
N 2.170712 -0.104616 0.461179
C 0.810715 -0.224670 0.154843
C -1.978925 -0.566366 -0.438984
C 3.108766 0.767385 -0.260519
C 0.217959 0.421547 -0.969150
C -0.026949 -1.033761 0.983142
C -1.153055 0.243403 -1.252388
C -1.391147 -1.195345 0.690926
C -3.466300 -0.745177 -0.748781
C 4.554615 0.368260 0.021143
C 4.981824 -1.001697 -0.472730
C -4.321663 -0.006023 0.268879
C 5.396485 1.219763 0.663839
H 2.955458 1.839159 -0.005214
H 2.915050 0.659504 -1.347337
H 2.471548 -0.422516 1.383484
H 0.814713 1.071014 -1.616807
H 0.406374 -1.539216 1.855807
H -1.586544 0.755519 -2.120147
H -2.013691 -1.811596 1.350501
H -3.746081 -1.812433 -0.695168
H -3.697910 -0.366380 -1.756647
H 4.302227 -1.789602 -0.097879
H 4.934084 -1.048490 -1.578753
H 6.011730 -1.245500 -0.162298
H 5.064539 2.207670 1.005203
H 6.441685 0.955488 0.861566
H -5.244013 1.719551 0.494139


