%chk=000017952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017952

0 1
 O    1.141700       1.503700      0.5159000    
 O  -0.6740000     -0.4664000      0.9853000    
 O    3.701600      0.8043000     -0.6104000    
 N   -4.111700     -0.1670000     -0.3032000    
 C    1.497900      0.2124000      0.2260000    
 C   0.5513000     -0.7806000      0.4793000    
 C    2.742700     -0.1276000     -0.3095000    
 C   -2.933600      0.1551000      0.4881000    
 C   -1.810400     -0.8293000      0.2037000    
 C    2.275400       2.375000      0.5496000    
 C    3.163100       2.128500     -0.6547000    
 C   0.8622000      -2.116500      0.2244000    
 C    3.057600      -1.464900     -0.5514000    
 C   -5.178900      0.7966000     -6.7299999E-02
 C    2.115300      -2.458600     -0.2850000    
 C   -6.400200      0.4353000     -0.8908000    
 H   -3.167800      0.1298000       1.559600    
 H   -2.580600       1.170800      0.2687000    
 H   -1.562700     -0.8133000     -0.8662000    
 H   -2.115700      -1.846300      0.4771000    
 H    2.815400       2.211000       1.490300    
 H    1.904100       3.404500      0.5437000    
 H    2.611700       2.251200      -1.595100    
 H    4.003500       2.829600     -0.6573000    
 H   -3.870900     -0.1779000      -1.294000    
 H   0.1426000      -2.904500      0.4295000    
 H    4.028000      -1.739500     -0.9558000    
 H   -5.457800      0.8028000      0.9927000    
 H   -4.852100       1.807700     -0.3372000    
 H    2.356700      -3.500100     -0.4769000    
 H   -6.175900      0.4493000      -1.962900    
 H   -6.772900     -0.5615000     -0.6319000    
 H   -7.205800       1.153500     -0.7071000    


%chk=000017952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017952

0 1
O 1.542250 1.789845 0.208020
O -0.679486 0.308066 -0.088696
O 4.177453 0.528753 0.022864
N -4.356219 -0.164388 -0.337444
C 1.704409 0.402430 -0.015515
C 0.530863 -0.390688 -0.165069
C 2.978171 -0.216586 -0.092380
C -3.073061 0.535282 -0.115109
C -1.921076 -0.468053 -0.237617
C 2.772969 2.428449 0.718410
C 3.977485 1.986136 -0.117472
C 0.649305 -1.786439 -0.367821
C 3.097425 -1.610449 -0.284405
C -5.561346 0.613528 0.031498
C 1.931031 -2.385738 -0.417085
C -6.840197 -0.187405 -0.265800
H -3.075579 0.953233 0.908346
H -2.888775 1.386571 -0.812465
H -1.934632 -0.968594 -1.229982
H -1.998270 -1.240326 0.552219
H 2.918809 2.148170 1.780028
H 2.595261 3.512733 0.637626
H 3.815101 2.232627 -1.184917
H 4.913241 2.448510 0.235763
H -4.430805 -0.522673 -1.300926
H -0.243436 -2.407294 -0.478533
H 4.096866 -2.051451 -0.333860
H -5.503754 0.832504 1.115737
H -5.611110 1.601941 -0.491401
H 2.013935 -3.467073 -0.566927
H -6.935120 -0.402122 -1.347937
H -6.824117 -1.150023 0.274589
H -7.737789 0.377623 0.043463


