%chk=000155638.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155638

1 1
 O    2.416600      0.1716000       1.085200    
 O    1.533200      -2.083000      -1.564700    
 O    3.788300      -2.290700     -5.8400001E-02
 O    4.172900       2.350900      0.9035000    
 O   -4.287000       1.123900      7.7000000E-03
 N   0.1703000      9.1399997E-02  0.2669000    
 N   -1.277500       1.707700      0.1081000    
 N   -1.424500      -1.800000      0.3023000    
 N   -3.719000      -1.092900      0.1593000    
 N   -3.122500      -3.367000      0.3172000    
 C    1.445800     -0.6154000      0.3679000    
 C    2.060300     -0.9050000     -0.9902000    
 C    3.531400      -1.015700     -0.6469000    
 C    3.695200      6.0899999E-02  0.4199000    
 C   -1.078600     -0.4794000      0.2426000    
 C    4.054300       1.422000     -0.1598000    
 C   3.0600000E-02   1.425200      0.1836000    
 C   -1.993000      0.5371000      0.1435000    
 C   -1.825700       3.044000      5.5999998E-03
 C   -3.402000      0.2776000      9.5100001E-02
 C   -2.798100      -2.035100      0.2542000    
 C   -1.971000       3.471700      -1.442500    
 H    1.283000      -1.534400      0.9440000    
 H    1.895700     -7.0299998E-02  -1.681900    
 H    4.189900     -0.9074000      -1.513400    
 H    4.424500     -0.2209000       1.187800    
 H    3.284700       1.795400     -0.8425000    
 H    5.009100       1.383900     -0.6924000    
 H   0.8315000       2.147300      0.1738000    
 H   0.5791000      -1.946700      -1.692500    
 H    4.727500      -2.309800      0.1930000    
 H   -2.786100       3.095200      0.5269000    
 H   -1.148000       3.730900      0.5259000    
 H  -0.7851000      -2.585200      0.3732000    
 H    3.319600       2.373500       1.369600    
 H   -1.004000       3.444500      -1.955100    
 H   -2.365800       4.490100      -1.503900    
 H   -2.651600       2.804600      -1.980800    
 H   -2.408200      -4.083200      0.3896000    
 H   -4.089000      -3.673100      0.2917000    


%chk=000155638-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155638

1 1
O 2.443259 0.826916 0.495023
O 1.285689 -2.566575 -0.288969
O 3.656089 -2.349207 0.599299
O 4.959635 2.290814 -0.038645
O -4.466570 1.050078 -0.175252
N 0.123649 0.381023 0.372667
N -1.519511 1.884508 0.361545
N -1.269048 -1.637770 -0.149574
N -3.644216 -1.152352 -0.418965
N -2.843374 -3.328970 -0.661494
C 1.453862 -0.227586 0.589866
C 1.862756 -1.252914 -0.506702
C 3.414889 -1.258830 -0.356999
C 3.769594 0.141842 0.222018
C -1.065410 -0.298955 0.083961
C 4.572257 1.057579 -0.707639
C -0.186117 1.718206 0.541205
C -2.101676 0.636060 0.068664
C -2.257158 3.187558 0.407221
C -3.505295 0.230591 -0.180708
C -2.619509 -2.003857 -0.409137
C -2.576927 3.714303 -1.002004
H 1.465811 -0.716695 1.587525
H 1.560940 -0.890747 -1.503343
H 3.919650 -1.460960 -1.319353
H 4.289193 0.035309 1.192155
H 4.003365 1.248103 -1.642812
H 5.526314 0.565947 -0.966805
H 0.541236 2.486607 0.777088
H 1.974202 -3.091985 0.220384
H 4.590016 -2.669358 0.580844
H -3.191467 3.001569 0.961277
H -1.629168 3.892771 0.978327
H -0.453985 -2.291639 -0.186014
H 4.156126 2.839015 0.147026
H -1.663639 3.869779 -1.602684
H -3.093796 4.684517 -0.906531
H -3.257583 3.026169 -1.528987
H -2.109752 -4.034284 -0.672254
H -3.807530 -3.602380 -0.848121


