%chk=000031797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031797

0 1
 O   -1.742400       1.414000       1.142400    
 O   -3.152200      2.9600000E-02   2.289700    
 O    2.633200      -1.510400      0.4486000    
 O    4.184500      0.1158000     -0.2595000    
 O    4.883400      -1.975700      0.3888000    
 N   -2.825900     -0.1684000     -1.3600000E-02
 C   -1.246200       1.506300     -0.2113000    
 C   -2.121000      0.5654000      -1.023600    
 C   -3.719600      -1.256700     -0.3455000    
 C   0.2277000       1.173900     -0.2390000    
 C   -2.634900      0.3750000       1.236400    
 C   -2.932900      -2.438100     -0.8980000    
 C   -4.784000     -0.7925000      -1.332000    
 C   0.6615000     -9.4200000E-02  0.1539000    
 C    1.152700       2.143800     -0.6612000    
 C    2.017000     -0.3492000      0.1101000    
 C    2.518400       1.852500     -0.6934000    
 C    2.913300      0.5905000     -0.2988000    
 C    3.967400      -1.181500      0.2062000    
 H   -1.402300       2.538200     -0.5475000    
 H   -2.848800       1.141900      -1.604900    
 H   -1.566600     -9.0499997E-02  -1.700300    
 H   -4.217800      -1.577100      0.5772000    
 H   -3.592300      -3.297900      -1.057700    
 H   -2.456200      -2.205200      -1.855900    
 H   -2.145200      -2.743100     -0.2002000    
 H   -5.314300      8.7300003E-02 -0.9515000    
 H   -5.522800      -1.583900      -1.498100    
 H   -4.357900     -0.5322000      -2.306900    
 H  -2.7899999E-02 -0.8624000      0.4856000    
 H   0.8170000       3.131300     -0.9676000    
 H    3.237800       2.595500      -1.018000    


%chk=000031797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031797

0 1
O -1.771854 1.455514 1.076165
O -3.262727 0.040996 2.216975
O 2.801872 -1.466807 0.575560
O 4.330253 0.141152 -0.123729
O 5.118346 -1.967576 0.621165
N -2.786403 -0.229816 -0.096054
C -1.200024 1.520187 -0.309250
C -2.077187 0.520963 -1.140826
C -3.755220 -1.319360 -0.363852
C 0.282957 1.196916 -0.275574
C -2.688404 0.361372 1.159257
C -3.081953 -2.489019 -1.112780
C -5.006782 -0.794073 -1.108095
C 0.718115 -0.080615 0.181024
C 1.222747 2.174212 -0.694914
C 2.091610 -0.301630 0.178271
C 2.621204 1.930875 -0.690341
C 3.018736 0.671123 -0.244908
C 4.199875 -1.196593 0.388907
H -1.347189 2.557335 -0.652931
H -2.781031 1.065108 -1.800926
H -1.451040 -0.138494 -1.766399
H -4.064578 -1.663515 0.640993
H -3.795183 -3.325375 -1.218332
H -2.764194 -2.193689 -2.130453
H -2.199265 -2.857049 -0.560720
H -5.476730 0.034583 -0.549961
H -5.751377 -1.603537 -1.210443
H -4.758251 -0.439928 -2.126309
H 0.012358 -0.839969 0.528836
H 0.860358 3.153613 -1.026133
H 3.343661 2.685094 -1.009823


