%chk=000042445.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042445

0 1
 O  -0.6408000       1.975000      0.2652000    
 O    1.900300      -2.141600      0.1889000    
 N   -4.052600      -1.532300      0.3938000    
 C   -1.858900       1.270000     -5.1199999E-02
 C   0.5700000     -0.1292000      0.2144000    
 C   0.5280000       1.267100      0.1990000    
 C   -1.830300     -0.2247000      0.1881000    
 C  -0.6714000     -0.8843000      0.3121000    
 C    1.807900     -0.7805000      0.1741000    
 C   -2.230400       1.606700      -1.496000    
 C    1.710600       2.008400      0.1564000    
 C    2.989300     -3.9200000E-02  0.1172000    
 C    2.940600       1.353800      0.1100000    
 C   -3.056000     -0.9458000      0.3015000    
 C    1.893700      -2.803400      -1.073400    
 H   -2.618900       1.707400      0.6087000    
 H  -0.6368000      -1.954200      0.4876000    
 H   -1.480900       1.221900      -2.197100    
 H   -3.206100       1.194300      -1.771800    
 H   -2.262200       2.692800      -1.637100    
 H    1.680600       3.094700      0.1559000    
 H    3.952600     -0.5413000      8.4399998E-02
 H    3.860900       1.929300      7.1599998E-02
 H    2.778100      -2.524100      -1.654900    
 H   0.9857000      -2.565400      -1.636300    
 H    1.920300      -3.881800     -0.8948000    


%chk=000042445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042445

0 1
O -0.707628 1.981203 0.415465
O 1.830034 -2.193784 0.107688
N -4.247886 -1.349254 0.710631
C -1.944760 1.291336 -0.064226
C 0.529064 -0.131529 0.194994
C 0.503407 1.296703 0.251422
C -1.921133 -0.194034 0.318211
C -0.718198 -0.860762 0.367070
C 1.794919 -0.779959 0.099345
C -2.101884 1.496419 -1.582387
C 1.693597 2.050858 0.242321
C 2.991789 -0.036828 0.069041
C 2.931540 1.376160 0.149193
C -3.174969 -0.840809 0.540309
C 1.956729 -2.820857 -1.221353
H -2.748524 1.818236 0.476294
H -0.664488 -1.932180 0.582376
H -1.282808 1.002500 -2.134727
H -3.059600 1.063376 -1.923390
H -2.097129 2.573638 -1.823255
H 1.637865 3.140906 0.311235
H 3.950600 -0.561262 0.013652
H 3.859315 1.958135 0.139695
H 2.878817 -2.483293 -1.733388
H 1.077473 -2.586764 -1.853900
H 2.007157 -3.904552 -1.036017


