%chk=000017995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017995

0 1
 O  -0.8762000      -1.106600      0.2642000    
 O    1.176500     -0.9529000      -1.437500    
 O   0.8385000      -1.728700       1.664600    
 N   -3.617500     -0.3602000      0.4348000    
 C   -4.677300     -0.1571000     -0.5523000    
 C    1.294300     -0.2150000     -0.2038000    
 C   -3.173100      -1.753500      0.4283000    
 C   -4.080800      2.2399999E-02   1.768100    
 C   -1.785900      -1.877200       1.038200    
 C   0.7015000       1.184300     -0.3828000    
 C    2.760900     -0.1355000      0.2273000    
 C   -5.668200      -1.317100     -0.5109000    
 C   -4.058900     -1.3900000E-02  -1.939300    
 C   0.4314000      -1.112700      0.6867000    
 C   -4.546700       1.468300       1.793400    
 C   0.7723000       1.818400      -1.623300    
 C    3.088100     -9.5399998E-02   1.582800    
 C   8.9800000E-02   1.825900      0.6943000    
 C    3.770200     -0.1034000     -0.7350000    
 C    1.668900      -2.268900      -1.282900    
 C   0.2317000       3.093800      -1.786700    
 C    4.424400     -2.3200000E-02   1.975900    
 C  -0.4509000       3.101300      0.5309000    
 C    5.106600     -3.1199999E-02 -0.3417000    
 C  -0.3800000       3.735200     -0.7096000    
 C    5.433700      8.9999996E-03   1.013700    
 C    1.526700      -3.006100      -2.597400    
 H   -5.228700      0.7745000     -0.4065000    
 H   -3.073100      -2.136600     -0.5937000    
 H   -3.855500      -2.420800      0.9700000    
 H   -3.249900     -4.8500001E-02   2.478600    
 H   -4.876800     -0.6262000       2.152100    
 H   -1.476800      -2.929100       1.002700    
 H   -1.761700      -1.553600       2.084000    
 H   -5.272600      -2.258600     -0.9061000    
 H   -6.078600      -1.493900      0.4882000    
 H   -6.526900      -1.071200      -1.148900    
 H   -3.564800     -0.9248000      -2.290600    
 H   -3.322700      0.7982000      -1.957600    
 H   -4.833700      0.2326000      -2.674500    
 H   -4.559200       1.825200       2.830000    
 H   -5.567700       1.591900       1.420200    
 H   -3.873100       2.129100       1.236700    
 H    1.250500       1.343100      -2.475100    
 H    2.332600     -5.9900001E-02   2.361000    
 H   3.0800000E-02   1.357300       1.672800    
 H    3.544200     -0.1098000      -1.797900    
 H    1.091200      -2.866400     -0.5709000    
 H    2.720100      -2.327400     -0.9932000    
 H   0.2884000       3.588400      -2.751900    
 H    4.679000      2.2000000E-02   3.030800    
 H  -0.9259000       3.601300       1.369900    
 H    5.892400     -9.9999997E-05  -1.090900    
 H  -0.8005000       4.728500     -0.8366000    
 H    6.473900      6.9799997E-02   1.319700    
 H   0.4804000      -3.022300      -2.920600    
 H    2.095700      -2.500700      -3.384800    
 H    1.884500      -4.036400      -2.512300    


%chk=000017995-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017995

0 1
O -1.521515 -1.078169 -1.370156
O 1.796630 -1.713916 -1.522163
O -0.485068 -2.288051 0.328092
N -3.281169 -0.358833 1.038819
C -3.713698 0.999501 1.511586
C 0.864773 -0.675904 -0.999015
C -3.737339 -0.699654 -0.326804
C -3.537513 -1.443351 2.028503
C -2.832320 -1.709066 -1.050050
C 0.637335 0.279786 -2.187979
C 1.486377 0.067365 0.199232
C -5.246987 1.248213 1.411775
C -2.919641 2.120890 0.806590
C -0.438437 -1.422920 -0.579444
C -2.539138 -1.444184 3.202092
C 0.824069 -0.172190 -3.516561
C 0.770598 0.362212 1.383402
C 0.206619 1.610400 -1.966897
C 2.826636 0.514745 0.071844
C 2.296786 -2.742062 -0.574327
C 0.586834 0.695595 -4.605515
C 1.388190 1.092558 2.425905
C -0.036141 2.475831 -3.055650
C 3.444061 1.236528 1.113666
C 0.152241 2.022246 -4.381494
C 2.724943 1.529878 2.297618
C 3.463681 -3.433188 -1.280740
H -3.440326 1.034808 2.583864
H -3.760168 0.220928 -0.935716
H -4.774263 -1.124431 -0.347235
H -3.438871 -2.410094 1.502973
H -4.584819 -1.403406 2.419140
H -3.263957 -1.969545 -2.031295
H -2.652326 -2.623216 -0.458271
H -5.574558 1.315560 0.357811
H -5.822878 0.441469 1.902178
H -5.513974 2.200475 1.905842
H -3.123146 2.154498 -0.279870
H -1.835987 1.966887 0.944864
H -3.194677 3.106119 1.227085
H -2.774721 -2.267792 3.902085
H -2.570062 -0.500890 3.777619
H -1.515056 -1.593096 2.820163
H 1.167689 -1.196061 -3.683039
H -0.264992 0.023186 1.500677
H 0.067333 1.976002 -0.943759
H 3.374883 0.285825 -0.848968
H 1.484700 -3.452676 -0.335364
H 2.619831 -2.258289 0.367555
H 0.740619 0.335229 -5.629343
H 0.824010 1.313563 3.339268
H -0.366585 3.504016 -2.868263
H 4.481304 1.572645 1.003598
H -0.031481 2.694881 -5.227258
H 3.202405 2.092020 3.108227
H 3.134023 -3.875615 -2.237338
H 4.277943 -2.718464 -1.492217
H 3.862800 -4.243196 -0.642741


