%chk=000065104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065104

0 1
 O   0.2380000      0.6215000      -1.914800    
 O   -1.049000      -2.598000      0.5580000    
 O   0.5377000      -3.937700     -0.3354000    
 N   0.2868000     -0.3797000      0.1803000    
 N   0.1190000       2.925100     -9.7900003E-02
 C    1.015200      -1.570600     -0.1937000    
 C  -0.7614000       1.785500     -3.8400002E-02
 C    2.314700      -1.699800      0.6117000    
 C   -2.105700       2.056000     -0.7239000    
 C  -4.3699998E-02  0.6251000     -0.7184000    
 C    3.232800     -0.5133000      0.4430000    
 C   -3.194900       1.118300     -0.2632000    
 C   0.1623000      -2.816900     -7.4000000E-03
 C    4.174400     -0.5224000     -0.5738000    
 C    3.116900      0.5636000       1.307600    
 C   -3.391600     -7.7600002E-02 -0.9359000    
 C   -3.978900       1.469100      0.8247000    
 C    5.022600      0.5739000     -0.7299000    
 C    3.965000       1.659900       1.151300    
 C   -4.398000     -0.9445000     -0.5101000    
 C   -4.985300      0.6022000       1.250400    
 C    4.917900       1.665000      0.1326000    
 C   -5.194800     -0.6046000      0.5830000    
 H    1.244000      -1.513300      -1.264800    
 H  -0.9346000       1.557600       1.020400    
 H    2.848300      -2.615800      0.3243000    
 H    2.085100      -1.829100       1.678900    
 H   -2.016300       2.007200      -1.817500    
 H   -2.435300       3.082800     -0.5112000    
 H  -2.1299999E-02 -0.3080000       1.145400    
 H  -0.3238000       3.733300      0.3375000    
 H   0.9657000       2.743000      0.4397000    
 H    4.261500      -1.366500      -1.251800    
 H    2.380300      0.5701000       2.105900    
 H   -2.777500     -0.3522000      -1.788800    
 H   -3.822100       2.405200       1.353000    
 H    5.763800      0.5783000      -1.523700    
 H    3.883200       2.509800       1.822600    
 H   -4.560600      -1.884500      -1.029300    
 H   -5.605200      0.8663000       2.102300    
 H    5.577900       2.518900      1.0700000E-02
 H   -5.978000      -1.279800      0.9149000    
 H   -1.562400      -3.427600      0.6596000    


%chk=000065104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065104

0 1
O 0.357283 1.057340 -1.801945
O -1.083554 -2.234597 1.202714
O -0.619081 -3.279117 -0.826672
N 0.105076 0.025502 0.277458
N -0.180460 3.578144 -0.406526
C 0.667227 -1.264635 -0.137983
C -0.832294 2.304953 -0.046558
C 1.940401 -1.662903 0.679754
C -2.286733 2.298936 -0.619822
C -0.065674 1.078422 -0.603642
C 3.062036 -0.643721 0.544917
C -3.082333 1.053344 -0.261164
C -0.390228 -2.364981 -0.010777
C 3.717570 -0.448919 -0.698099
C 3.471463 0.133390 1.657038
C -3.162423 -0.044408 -1.157425
C -3.741626 0.950799 0.992351
C 4.757094 0.497167 -0.825609
C 4.512903 1.082442 1.534595
C -3.878663 -1.213200 -0.812816
C -4.458713 -0.215659 1.342911
C 5.159226 1.267158 0.291350
C -4.529310 -1.303843 0.440499
H 0.922774 -1.169185 -1.207202
H -0.888164 2.247356 1.058169
H 2.270551 -2.655079 0.313745
H 1.654887 -1.784483 1.741199
H -2.207311 2.403639 -1.718627
H -2.772274 3.211293 -0.229436
H -0.350525 0.060317 1.192595
H 0.705874 3.723901 0.093819
H -0.020791 3.627496 -1.422839
H 3.412561 -1.036646 -1.572722
H 2.976477 -0.009111 2.625827
H -2.660716 0.020361 -2.130747
H -3.705716 1.797434 1.690236
H 5.251522 0.635939 -1.793488
H 4.820067 1.672032 2.405973
H -3.932055 -2.046516 -1.522587
H -4.971880 -0.271291 2.310058
H 5.967484 2.000523 0.193093
H -5.103095 -2.200925 0.701497
H -1.836158 -2.882868 1.244791


