%chk=000019837.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019837

0 1
 O   -1.357400     -0.2865000     -0.7645000    
 O   -1.786100      0.1033000       1.476900    
 N   -3.452000      0.4754000     -0.1030000    
 C    3.302200      0.9205000      7.9099998E-02
 C    2.211100     -9.4300002E-02  1.9200001E-02
 C    3.029500       2.017400       1.125800    
 C    3.583300       1.565000      -1.291700    
 C   0.9214000      0.2893000     -0.3485000    
 C    2.480400      -1.427200      0.3302000    
 C  -6.4199999E-02 -0.6706000     -0.3952000    
 C    1.460100      -2.376400      0.2736000    
 C   0.1705000      -1.993000     -9.4200000E-02
 C   -2.168200      9.9100001E-02  0.3071000    
 C   -4.436300      0.9079000      0.8788000    
 C   -3.894200      0.4702000      -1.493700    
 H    4.232700      0.4231000      0.3854000    
 H    2.156300       2.624800      0.8644000    
 H    3.890200       2.689800       1.210200    
 H    2.848700       1.577000       2.112600    
 H    3.800700      0.7990000      -2.044300    
 H    4.449600       2.232700      -1.231400    
 H    2.732300       2.154600      -1.649300    
 H   0.6892000       1.320800     -0.5957000    
 H    3.479400      -1.743100      0.6185000    
 H    1.669600      -3.414300      0.5156000    
 H  -0.6236000      -2.731600     -0.1393000    
 H   -4.743400       1.930900      0.6424000    
 H   -4.032500      0.8837000       1.894000    
 H   -5.303300      0.2430000      0.8247000    
 H   -4.194400       1.485800      -1.767700    
 H   -4.753900     -0.2003000      -1.583700    
 H   -3.114500      0.1364000      -2.180800    


%chk=000019837-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019837

0 1
O -1.416869 -0.276639 -0.648335
O -1.956005 0.158025 1.614492
N -3.526231 0.485067 -0.106002
C 3.392419 0.940549 0.047165
C 2.265252 -0.095935 0.017162
C 3.160753 2.002300 1.155243
C 3.583293 1.618129 -1.335884
C 0.929737 0.289892 -0.265641
C 2.530126 -1.464795 0.275195
C -0.091110 -0.675945 -0.281326
C 1.492668 -2.425660 0.255313
C 0.164909 -2.036876 -0.023769
C -2.294247 0.133677 0.405627
C -4.571626 0.934308 0.826224
C -3.875411 0.444669 -1.533878
H 4.330858 0.401922 0.289354
H 2.244036 2.588627 0.958844
H 4.011028 2.708065 1.198726
H 3.049132 1.527702 2.146317
H 3.788401 0.870656 -2.123267
H 4.427485 2.331908 -1.304791
H 2.677515 2.179919 -1.630893
H 0.672343 1.335034 -0.469393
H 3.557466 -1.779177 0.495700
H 1.717913 -3.478172 0.459679
H -0.655833 -2.760292 -0.041344
H -4.891516 1.965839 0.582560
H -4.168786 0.913120 1.849605
H -5.454456 0.268700 0.768906
H -4.167956 1.453200 -1.886406
H -4.727975 -0.242176 -1.701891
H -3.014111 0.096758 -2.117790


