%chk=000115561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115561

0 1
 O  -0.2779000      0.1643000       2.229800    
 O  -0.4453000     -0.6293000      -2.477300    
 O   -3.265100      -2.784500      0.4105000    
 N   -1.789300      -1.260300       1.286600    
 N   -1.890200      -1.633600      -1.022700    
 C  -0.4805000      0.2180000     -0.1990000    
 C    1.017000      0.6038000     -0.3633000    
 C   -1.144200       1.608400     -0.4427000    
 C  -0.2307000       2.614500      0.2915000    
 C    1.171300       1.984100      0.2890000    
 C    2.023900     -0.4221000      0.1447000    
 C  -0.8028000     -0.2906000       1.213200    
 C  -0.9032000     -0.7155000      -1.337000    
 C   -2.608100       1.731200     -2.4200000E-02
 C  -0.2431000       4.000400     -0.3429000    
 C    3.458800      4.3099999E-02 -9.1700003E-02
 C    4.465000     -0.9730000      0.4484000    
 C   -2.383500      -1.941600      0.2355000    
 C    4.327900      -2.317200     -0.2485000    
 H    1.227700      0.7516000      -1.433100    
 H   -1.107000       1.828200      -1.520300    
 H  -0.5582000       2.721800       1.333900    
 H    1.898100       2.592900     -0.2612000    
 H    1.535200       1.905900       1.320500    
 H    1.835000      -1.366300     -0.3771000    
 H    1.888900     -0.6148000       1.214100    
 H   -3.001400       2.718200     -0.2890000    
 H   -3.226100      0.9858000     -0.5339000    
 H   -2.739500       1.606700       1.055200    
 H   -1.247000       4.435300     -0.3160000    
 H   0.4293000       4.676200      0.1959000    
 H   8.2500003E-02   3.963800      -1.388000    
 H    3.631200      0.2041000      -1.162700    
 H    3.644800      0.9984000      0.4112000    
 H   -2.080200      -1.535400       2.220600    
 H   -2.252300      -2.187300      -1.794200    
 H    4.340100      -1.100600       1.529700    
 H    5.477600     -0.5868000      0.2844000    
 H    4.335500      -2.206500      -1.337400    
 H    3.413100      -2.839500      4.6300001E-02
 H    5.167700      -2.963700      2.8000001E-02


%chk=000115561-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115561

0 1
O -0.599630 0.448856 2.234926
O -0.795903 -0.261658 -2.586001
O -2.415890 -3.410205 0.415558
N -1.483777 -1.443372 1.272000
N -1.588952 -1.791557 -1.055951
C -0.561217 0.356253 -0.225475
C 0.983128 0.703770 -0.360205
C -1.213230 1.785233 -0.434235
C -0.269839 2.774354 0.316057
C 1.138926 2.098251 0.311567
C 1.939557 -0.390633 0.160830
C -0.867969 -0.178210 1.174658
C -0.978587 -0.564101 -1.376424
C -2.697381 1.889495 -0.039440
C -0.288247 4.184563 -0.310457
C 3.419755 -0.095119 -0.179994
C 4.416017 -1.125328 0.407821
C -1.869031 -2.295797 0.224965
C 4.235689 -2.561169 -0.135452
H 1.137175 0.815226 -1.452884
H -1.116949 1.969214 -1.524193
H -0.615100 2.842424 1.364546
H 1.877866 2.709813 -0.238605
H 1.505717 1.981769 1.346834
H 1.657456 -1.370294 -0.276893
H 1.833822 -0.481190 1.261477
H -3.074140 2.906235 -0.251368
H -3.329458 1.182534 -0.609222
H -2.841819 1.700994 1.040290
H -1.307206 4.615543 -0.317906
H 0.359788 4.877057 0.257628
H 0.077554 4.158510 -1.355082
H 3.539109 -0.057442 -1.283175
H 3.683608 0.911815 0.200632
H -1.677746 -1.786305 2.218949
H -1.860573 -2.392299 -1.841204
H 4.318427 -1.134631 1.512745
H 5.447805 -0.784731 0.189621
H 4.307213 -2.578335 -1.239697
H 3.254567 -2.984785 0.146016
H 5.014463 -3.236650 0.263543


