%chk=000052874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052874

0 1
 O   -2.273000      -1.771300     -0.5287000    
 O   -7.123200     -0.5778000      0.1920000    
 O   -6.061500       1.409900      0.5087000    
 O    6.181600     -0.1726000      0.3458000    
 O    4.953300      -1.997300      0.3406000    
 N    5.071900     -0.7511000      0.2624000    
 C   -3.504700      0.2320000      3.9500002E-02
 C   -4.787800     -0.5878000     -7.8699999E-02
 C    1.527500      0.2010000     -0.2085000    
 C   -2.247100     -0.5810000     -0.2281000    
 C   0.2086000     -0.4482000     -0.3115000    
 C  -0.9627000      0.1713000     -0.1094000    
 C    2.656600     -0.5803000     -2.3499999E-02
 C    1.612500       1.580900     -0.2994000    
 C    3.904700      3.5000000E-02  7.3200002E-02
 C    2.860400       2.196200     -0.2026000    
 C    4.006600       1.423300     -1.6500000E-02
 C   -6.023700      0.2176000      0.2447000    
 H   -3.430000      0.6524000       1.049700    
 H   -3.533900       1.064200     -0.6740000    
 H   -4.887000     -0.9751000      -1.099200    
 H   -4.744200      -1.437600      0.6125000    
 H   0.2301000      -1.506500     -0.5611000    
 H   -1.049500       1.215400      0.1671000    
 H    2.554900      -1.661100      4.5200001E-02
 H   0.7512000       2.220000     -0.4659000    
 H    2.940700       3.276900     -0.2775000    
 H    4.961700       1.937600      5.2900001E-02
 H   -7.944300     -8.0399998E-02  0.3936000    


%chk=000052874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052874

0 1
O -2.288880 -1.801586 -0.165115
O -7.236949 -0.578577 0.244128
O -6.170001 1.139998 -0.892630
O 6.305767 -0.287564 -0.197847
O 4.946969 -2.115332 -0.316176
N 5.141903 -0.844154 -0.216487
C -3.587689 0.257760 0.088804
C -4.832018 -0.633977 0.201115
C 1.516706 0.279891 -0.042460
C -2.288982 -0.541355 -0.019877
C 0.193589 -0.358968 -0.068034
C -1.027836 0.250866 0.028202
C 2.668175 -0.547221 -0.138531
C 1.703755 1.690266 0.073315
C 3.947613 0.039007 -0.115896
C 2.994506 2.253686 0.093272
C 4.139537 1.431901 -0.001370
C -6.094158 0.091295 -0.212651
H -3.514957 0.956540 0.945658
H -3.675774 0.907586 -0.807359
H -4.706449 -1.520923 -0.451573
H -4.962199 -1.040820 1.218456
H 0.175759 -1.453905 -0.175990
H -1.129825 1.337917 0.141628
H 2.578817 -1.634242 -0.229215
H 0.832825 2.349745 0.146073
H 3.114621 3.337942 0.181772
H 5.153405 1.839803 0.010872
H -8.048527 -0.099977 -0.078783


