%chk=000164264.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164264

0 1
 O   0.3850000      0.3372000      0.9715000    
 O   -4.894600      0.5490000      2.7999999E-03
 O   -1.267900       1.249700       2.297400    
 O   -3.134400     -0.8154000     -0.5587000    
 O    1.188100       3.975300     -0.7708000    
 O   0.9353000       1.979000      -1.822400    
 N   -2.818700       1.410400      1.6200000E-02
 C    2.348300     -0.8228000       1.683600    
 C    2.071100      -1.954100      0.7040000    
 C    3.274300      6.7599997E-02  0.8672000    
 C    2.766300      -1.738500     -0.5074000    
 C    3.504500     -0.4980000     -0.4072000    
 C    1.080000     -0.1034000       2.124700    
 C    1.284000      -3.079000      0.8907000    
 C    3.867600       1.262400       1.241100    
 C    2.669300      -2.648400      -1.547700    
 C    4.327200      0.1378000      -1.322900    
 C    1.186300      -3.995300     -0.1580000    
 C    4.696400       1.902800      0.3182000    
 C    1.871600      -3.781900      -1.365600    
 C    4.923300       1.346600     -0.9516000    
 C   -1.384700       1.461900     -0.1231000    
 C  -0.7902000       1.009900       1.195900    
 C   -5.798100     -0.5434000     -0.1993000    
 C  -0.8886000       2.864700     -0.4693000    
 C   -5.419200      -1.671400      0.7592000    
 C   -7.207400     -3.5799999E-02  9.8600000E-02
 C   -5.688500      -1.003100      -1.652300    
 C   -3.572800      0.2768000     -0.2131000    
 C   0.4866000       2.859200      -1.101500    
 H    2.900700      -1.217600       2.544600    
 H    1.326600      0.7573000       2.757900    
 H   0.4387000     -0.7856000       2.695900    
 H   0.7567000      -3.249800       1.822700    
 H    3.698500       1.693600       2.221600    
 H    3.194000      -2.498400      -2.485400    
 H    4.513300     -0.2800000      -2.306600    
 H   0.5745000      -4.885600     -3.9799999E-02
 H    5.173100       2.842700      0.5838000    
 H    1.780700      -4.509500      -2.167800    
 H    5.572400       1.863500      -1.653600    
 H   -1.108800      0.7345000     -0.8961000    
 H  -0.8659000       3.490800      0.4313000    
 H   -1.561300       3.345800      -1.189500    
 H   -3.302700       2.239800      0.3475000    
 H   -4.545100      -2.252700      0.4552000    
 H   -5.215600      -1.281800       1.763400    
 H   -6.239200      -2.395100      0.8404000    
 H   -7.463100      0.8059000     -0.5552000    
 H   -7.276000      0.3386000       1.126400    
 H   -7.960300     -0.8194000     -3.5399999E-02
 H   -5.689200     -0.1457000      -2.335400    
 H   -6.539200      -1.642800      -1.916200    
 H   -4.796000      -1.592200      -1.877500    
 H    2.082400       3.976800      -1.174000    


%chk=000164264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164264

0 1
O 0.642651 0.047946 1.210981
O -5.166185 0.206448 0.332904
O -1.177147 0.418108 2.613223
O -3.772544 -0.174235 -1.558593
O 1.113172 2.238229 -1.203719
O 0.617025 0.125765 -2.044144
N -2.921064 0.326685 0.560196
C 2.949328 -0.377528 1.882492
C 2.955261 -1.721462 1.148311
C 3.535297 0.573256 0.835218
C 3.434220 -1.551334 -0.183388
C 3.791943 -0.133613 -0.377208
C 1.556614 0.035364 2.390040
C 2.550909 -2.984390 1.609734
C 3.808704 1.946674 0.938920
C 3.503952 -2.650684 -1.064847
C 4.310957 0.544469 -1.501905
C 2.625825 -4.091014 0.726337
C 4.337409 2.628855 -0.187016
C 3.096329 -3.922403 -0.599718
C 4.580870 1.932208 -1.399138
C -1.516157 0.228280 0.168982
C -0.697270 0.244352 1.466043
C -6.473265 0.005934 -0.423953
C -1.100065 1.384723 -0.800967
C -6.530910 -1.434613 -0.971058
C -7.515933 0.231509 0.684526
C -6.591245 1.067063 -1.536684
C -3.942521 0.092482 -0.335257
C 0.267469 1.148445 -1.414637
H 3.600194 -0.414417 2.781722
H 1.560684 1.045159 2.838852
H 1.159390 -0.679837 3.132529
H 2.181515 -3.123723 2.632854
H 3.612336 2.495979 1.867127
H 3.856620 -2.526170 -2.094346
H 4.501254 0.013517 -2.440511
H 2.314797 -5.084072 1.069104
H 4.555291 3.700278 -0.123252
H 3.139298 -4.786846 -1.271476
H 4.992386 2.471302 -2.259689
H -1.323592 -0.721999 -0.367180
H -1.134373 2.359633 -0.290557
H -1.846512 1.369929 -1.616481
H -3.131535 0.513368 1.544951
H -5.754223 -1.597418 -1.734738
H -6.390783 -2.162985 -0.152601
H -7.521422 -1.615307 -1.427640
H -7.425739 1.249278 1.101668
H -7.374226 -0.495029 1.503041
H -8.533838 0.106719 0.273871
H -6.475554 2.081725 -1.115545
H -7.591368 0.999687 -2.002856
H -5.826958 0.910322 -2.313942
H 2.032030 2.038288 -1.542182


