%chk=000048970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048970

0 1
 O   -3.067000     -0.5866000      1.1000000E-03
 O    2.941600     -0.1644000      -1.667300    
 O   -2.381600      -2.595100      0.8929000    
 N   -7.533900       1.285400      4.9800001E-02
 C   -6.717600      0.1540000      0.4727000    
 C   -5.269500      0.3538000      3.7000000E-02
 C   -4.395400     -0.8239000      0.4461000    
 C    4.753700       1.428700      -1.567900    
 C    3.252400       1.226200      -1.740800    
 C   -8.939800      0.8931000     -6.4000003E-02
 C   -7.392900       2.401700      0.9865000    
 C    5.246300      0.9502000     -0.2237000    
 C  -0.8126000      -1.188900     -0.2234000    
 C    1.710900     -0.4997000      -1.192600    
 C   -2.155800      -1.556300      0.2918000    
 C    5.272900       1.826100      0.8615000    
 C    5.675300     -0.3677000     -6.6900000E-02
 C   0.2680000      -2.049400     -2.9400000E-02
 C  -0.6314000      1.6100001E-02 -0.9022000    
 C    1.529700      -1.704900     -0.5139000    
 C   0.6303000      0.3607000      -1.386800    
 C    5.728500       1.384100       2.103700    
 C    6.130800     -0.8097000       1.175200    
 C    6.157400      6.6200003E-02   2.260500    
 H   -7.072900     -0.7660000     -1.1000000E-02
 H   -6.786300     -1.9700000E-02   1.554500    
 H   -4.840900       1.266000      0.4683000    
 H   -5.211700      0.4838000      -1.051700    
 H   -4.771900      -1.747500     -9.3999999E-03
 H   -4.400700     -0.9337000       1.537000    
 H    5.292800      0.8850000      -2.354400    
 H    5.004700       2.488400      -1.698400    
 H    2.739200       1.799400     -0.9570000    
 H    2.946200       1.605400      -2.722500    
 H   -9.061700      0.1040000     -0.8145000    
 H   -9.549600       1.738900     -0.4011000    
 H   -9.345900      0.5322000      0.8881000    
 H   -6.360900       2.762600       1.033500    
 H   -7.712800       2.135700       2.000800    
 H   -7.996600       3.254200      0.6542000    
 H    4.939400       2.854600      0.7520000    
 H    5.660000      -1.060600     -0.9039000    
 H   0.1478000      -2.992600      0.4968000    
 H   -1.446100      0.7121000      -1.081100    
 H    2.368200      -2.378600     -0.3597000    
 H   0.7223000       1.293800      -1.934800    
 H    5.748700       2.065900       2.948800    
 H    6.464500      -1.836000       1.297500    
 H    6.511900     -0.2781000       3.227600    


%chk=000048970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048970

0 1
O -3.366528 -0.620631 -0.271793
O 2.994310 -0.244989 -1.109111
O -2.821706 -2.874456 -0.017211
N -7.920553 1.272800 0.138962
C -7.070881 0.069285 0.300504
C -5.585042 0.329471 -0.030410
C -4.792838 -0.978893 -0.037041
C 4.944613 1.157961 -1.484553
C 3.411883 1.151172 -1.355410
C -9.358196 0.932037 0.182470
C -7.589858 2.353986 1.089827
C 5.683167 0.943231 -0.169392
C -1.060852 -1.247772 -0.472577
C 1.636319 -0.503376 -0.908142
C -2.458199 -1.689290 -0.233935
C 6.325821 2.028711 0.479443
C 5.734104 -0.338026 0.439791
C -0.029430 -2.227742 -0.446051
C -0.722186 0.105618 -0.722431
C 1.306405 -1.862633 -0.660884
C 0.617015 0.484993 -0.940785
C 7.000309 1.844074 1.708638
C 6.406926 -0.525782 1.667506
C 7.042780 0.564312 2.307100
H -7.461110 -0.703781 -0.390990
H -7.149645 -0.355918 1.338013
H -5.128731 1.010287 0.711228
H -5.519532 0.818565 -1.019093
H -5.119544 -1.664895 -0.840951
H -4.867031 -1.520438 0.924951
H 5.221311 0.381515 -2.222706
H 5.233097 2.134527 -1.918177
H 3.080758 1.792632 -0.514555
H 2.940812 1.505787 -2.295054
H -9.588653 0.186555 -0.599551
H -9.960167 1.835844 -0.020434
H -9.687758 0.512755 1.168028
H -6.551622 2.695013 0.941895
H -7.707225 2.048004 2.161925
H -8.254312 3.216925 0.906271
H 6.303686 3.024216 0.017467
H 5.234595 -1.181207 -0.048886
H -0.303174 -3.269956 -0.252619
H -1.517163 0.856170 -0.744445
H 2.111623 -2.602898 -0.642054
H 0.853457 1.535224 -1.132533
H 7.493796 2.693911 2.193976
H 6.436428 -1.521289 2.124996
H 7.566724 0.417295 3.258281


