%chk=000095446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095446

0 1
 O   -3.117300       2.185500     -0.6103000    
 O  -0.9550000       2.860300      0.7562000    
 N    4.185300     -0.8068000     -0.1053000    
 C   -2.023600       1.279400     -0.7192000    
 C   0.4707000       1.148900      2.7300000E-02
 C  -0.8158000       1.825400      7.3500000E-02
 C   -2.462600     -9.2200004E-02 -0.2591000    
 C    2.938000     -0.1501000     -6.0600001E-02
 C   0.8459000      0.4412000      -1.114600    
 C    1.329000       1.207100       1.125300    
 C    2.079500     -0.2083000      -1.158600    
 C    2.562700      0.5576000       1.081400    
 C   -3.042400     -0.9588000      -1.170700    
 C   -2.275700     -0.4546000       1.064400    
 C    4.881400     -0.9756000      -1.365300    
 C    4.794100      -1.309500       1.110500    
 C   -3.447300      -2.224200     -0.7464000    
 C   -2.680600      -1.720200       1.488500    
 C   -3.266300      -2.605100      0.5831000    
 H   -1.753100       1.257800      -1.780600    
 H   0.2109000      0.3825000      -1.992700    
 H    1.052900       1.751300       2.024800    
 H    2.337400     -0.7582000      -2.059200    
 H    3.211700      0.6320000       1.949300    
 H   -3.188300     -0.6703000      -2.207600    
 H   -1.846200      0.2192000       1.798900    
 H    4.460100      -1.812100      -1.932400    
 H    5.944100      -1.189500      -1.204500    
 H    4.832300     -6.6699997E-02  -1.975700    
 H    5.558200      -2.062600      0.8873000    
 H    4.055300      -1.794300       1.758700    
 H    5.281500     -0.4999000       1.663900    
 H   -3.904000      -2.913000      -1.451200    
 H   -2.545000      -2.015000       2.525000    
 H   -2.846100       3.020500      -1.028800    
 H   -3.582800      -3.589900      0.9138000    


%chk=000095446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095446

0 1
O -3.035458 2.360803 -0.349472
O -1.043547 2.515561 1.323841
N 4.375148 -0.733827 -0.142378
C -1.999727 1.356040 -0.563582
C 0.499862 1.022685 0.228773
C -0.810329 1.668675 0.393431
C -2.554576 -0.053215 -0.331470
C 3.113476 -0.161825 -0.021182
C 0.792747 0.100139 -0.816910
C 1.545996 1.338848 1.145159
C 2.061005 -0.479417 -0.944712
C 2.816773 0.769062 1.033186
C -2.730073 -0.946792 -1.414471
C -2.947732 -0.458746 0.969119
C 4.654738 -1.687167 -1.227343
C 5.439338 -0.393034 0.815029
C -3.283301 -2.230960 -1.205915
C -3.496345 -1.741227 1.180837
C -3.664647 -2.633130 0.094228
H -1.659948 1.447474 -1.614310
H 0.017135 -0.181014 -1.536010
H 1.325545 2.050250 1.948182
H 2.238801 -1.183439 -1.761804
H 3.586041 1.042575 1.760298
H -2.455036 -0.629369 -2.429061
H -2.828038 0.232963 1.811080
H 3.998742 -2.578235 -1.167540
H 5.698524 -2.029102 -1.154356
H 4.516235 -1.223901 -2.224455
H 6.357058 -0.940615 0.551064
H 5.161908 -0.670722 1.851212
H 5.671685 0.690188 0.799180
H -3.423462 -2.910872 -2.054015
H -3.796026 -2.046757 2.189872
H -2.769197 2.837536 0.494199
H -4.094415 -3.627634 0.259396


