%chk=000115575.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115575

0 1
 O  -5.8200002E-02 -0.1675000       2.399800    
 O  -0.1862000       1.003600      -2.237900    
 O   -3.578400      -1.351600     -0.2691000    
 N   -1.768700     -0.7976000       1.028900    
 N   -1.847200     -0.1916000      -1.230000    
 C   0.2551000      0.1961000      1.4100000E-02
 C    1.336700     -0.8781000     -0.3928000    
 C    1.109500       1.461500      0.3703000    
 C    2.697500     -0.2290000     -0.1102000    
 C    2.447100       1.252300     -0.3344000    
 C    1.226300      -2.260600      0.2426000    
 C   0.4785000       2.820000      8.9800000E-02
 C  -0.5230000     -0.2410000       1.261200    
 C  -0.6016000      0.4108000      -1.240900    
 C    2.312300      -3.191600     -0.2629000    
 C  -0.8308000       2.990200      0.8381000    
 C   -2.468700     -0.8259000     -0.1665000    
 H    1.288800      -1.029900      -1.481700    
 H    1.341100       1.453100       1.445300    
 H    3.484300     -0.6016000     -0.7737000    
 H    3.011500     -0.4042000      0.9262000    
 H    3.242800       1.869000      9.4700001E-02
 H    2.378000       1.478000      -1.404600    
 H   0.2506000      -2.698700      3.3000000E-03
 H    1.302800      -2.203600       1.333900    
 H   0.3274000       3.000300     -0.9783000    
 H    1.171700       3.602300      0.4250000    
 H    2.307100      -3.254000      -1.355900    
 H    3.307400      -2.873600      6.2300000E-02
 H    2.149600      -4.201100      0.1293000    
 H   -1.616400       2.333000      0.4583000    
 H  -0.7054000       2.802600       1.909300    
 H   -1.189900       4.018600      0.7236000    
 H   -2.247600      -1.182500       1.838400    
 H   -2.381400     -0.1347000      -2.092700    


%chk=000115575-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115575

0 1
O 0.153431 -0.416133 2.432910
O -0.185941 0.736466 -2.286463
O -3.764985 -1.085894 0.040374
N -1.750822 -0.769481 1.187360
N -1.933992 -0.153958 -1.078560
C 0.302078 0.145971 0.045266
C 1.481371 -0.883433 -0.358505
C 1.076425 1.506840 0.395191
C 2.778882 -0.201826 0.139584
C 2.516946 1.291753 -0.131309
C 1.271725 -2.347966 0.085570
C 0.417516 2.829058 -0.050911
C -0.411665 -0.347658 1.308402
C -0.597478 0.285113 -1.183876
C 2.334104 -3.297353 -0.512882
C -0.941461 3.118646 0.625054
C -2.569403 -0.700383 0.048632
H 1.506771 -0.857182 -1.466901
H 1.133758 1.506695 1.502275
H 3.667691 -0.587536 -0.390108
H 2.914189 -0.384090 1.223234
H 3.233250 1.959049 0.381075
H 2.564588 1.503860 -1.216873
H 0.266296 -2.695463 -0.231954
H 1.300088 -2.413104 1.189889
H 0.310293 2.846034 -1.151261
H 1.125302 3.643058 0.205981
H 2.334273 -3.252907 -1.618354
H 3.349390 -3.037828 -0.162946
H 2.135690 -4.343221 -0.216683
H -1.711261 2.376329 0.340760
H -0.851194 3.104257 1.727655
H -1.325645 4.111627 0.329658
H -2.197268 -1.134624 2.035269
H -2.510339 -0.081719 -1.923752


