%chk=000100804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100804

0 1
 O   -3.939400     -0.4008000      0.2883000    
 O    5.238200      0.3269000     -0.4539000    
 O    4.899100      -1.513500      0.8865000    
 O   -5.441500      -1.048800      -1.342000    
 N   -2.756100       1.631400      0.3598000    
 N   -1.034000      0.5448000     -0.4674000    
 N   -1.424900       1.315300      0.4334000    
 C    3.039700     -0.2855000      3.8300000E-02
 C   0.3324000      0.2666000     -0.2969000    
 C   -3.711300      0.8355000     -0.3998000    
 C    2.082000      -1.097100      0.6462000    
 C    2.640700      0.8029000     -0.7377000    
 C   0.7253000     -0.8204000      0.4782000    
 C    1.283900       1.079500     -0.9056000    
 C   -3.251200       2.524400       1.387900    
 C    4.454300     -0.5728000      0.2156000    
 C   -4.831100      -1.246700     -0.3003000    
 C   -4.961700      -2.489700      0.5264000    
 C    6.655400      0.1482000     -0.3570000    
 H   -3.316600      0.6463000      -1.404300    
 H   -4.648300       1.397200     -0.4875000    
 H    2.371300      -1.949800       1.255000    
 H    3.350500       1.461900      -1.229600    
 H  -1.4600000E-02  -1.458400      0.9544000    
 H   0.9811000       1.928600      -1.512500    
 H   -2.438700       3.158100       1.755800    
 H   -3.656400       1.929500       2.210800    
 H   -4.033200       3.162000      0.9665000    
 H   -5.328200      -2.234900       1.524000    
 H   -3.995600      -2.996900      0.5887000    
 H   -5.680300      -3.165600      5.3900000E-02
 H    6.942100     -0.8226000     -0.7719000    
 H    6.975500      0.2327000      0.6856000    
 H    7.138700      0.9370000     -0.9393000    


%chk=000100804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100804

0 1
O -4.211804 -0.234956 0.062920
O 4.837252 -0.603568 -1.199149
O 5.232099 0.080520 0.993613
O -3.538068 -0.269135 -2.179885
N -3.099102 1.462292 1.357343
N -1.243166 0.791751 0.289487
N -1.744864 1.216838 1.424835
C 2.957049 0.114529 0.104457
C 0.171498 0.596412 0.312176
C -3.870921 1.224636 0.156349
C 2.400932 0.606867 1.317921
C 2.107983 -0.133322 -1.006044
C 1.023791 0.849260 1.427451
C 0.726511 0.106532 -0.901189
C -3.758554 1.688687 2.650669
C 4.424577 -0.119564 0.050511
C -3.905417 -0.878962 -1.155099
C -4.085092 -2.373113 -1.006949
C 6.289040 -0.859159 -1.328398
H -3.294917 1.502131 -0.741863
H -4.825204 1.768675 0.229118
H 3.076253 0.792551 2.159880
H 2.541252 -0.508734 -1.936683
H 0.591347 1.230840 2.356750
H 0.049736 -0.073203 -1.742704
H -2.979698 1.925028 3.390777
H -4.310698 0.789239 2.982518
H -4.462614 2.536119 2.578907
H -4.959829 -2.603632 -0.378410
H -3.193191 -2.796297 -0.509783
H -4.189712 -2.835236 -1.999592
H 6.615171 -1.604766 -0.583613
H 6.857471 0.073738 -1.174536
H 6.417991 -1.237695 -2.352188


