%chk=000154758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154758

0 1
 O    4.652000     -0.6616000       1.630600    
 O    5.048600      0.9902000      -1.568200    
 O   -6.401400      4.0199999E-02   1.008000    
 N  -0.3379000       1.136700      8.2599998E-02
 C    2.867800     -0.7101000      8.3499998E-02
 C    4.350100     -0.4617000      0.2491000    
 C    1.942500      0.3565000      0.1326000    
 C   0.5572000      0.1229000      3.7200000E-02
 C    4.787700      0.9528000     -0.1665000    
 C   0.1210000      -1.206200     -0.1139000    
 C   -1.253300      -1.448900     -0.2133000    
 C    2.403600      -2.018800     -5.9999999E-02
 C   -2.170000     -0.3960000     -0.1642000    
 C    2.459300       1.728300      0.2894000    
 C    1.040000      -2.264000     -0.1627000    
 C    3.760300       2.002800      0.1279000    
 C   -1.660400      0.9013000     -1.2900000E-02
 C   -3.556100     -0.6114000     -0.2615000    
 C   -1.754900      -2.857800     -0.3751000    
 C   -2.564500       1.959000      3.7200000E-02
 C   -4.439900      0.4622000     -0.2085000    
 C   -3.942500       1.750500     -5.8800001E-02
 C   -5.909100      0.2329000     -0.3127000    
 H    4.908300      -1.208300     -0.3297000    
 H    5.716800       1.223400      0.3492000    
 H    3.099700      -2.853200     -8.0100000E-02
 H    1.764100       2.533900      0.4991000    
 H   0.7518000      -3.306300     -0.2447000    
 H    4.097300       3.032700      0.2057000    
 H   -3.993100      -1.600200     -0.3485000    
 H   -1.900700      -3.323000      0.6049000    
 H   -2.684300      -2.929600     -0.9448000    
 H   -1.084700      -3.481100     -0.9735000    
 H   -2.198600       2.977500      0.1544000    
 H    5.615700     -0.5826000       1.733800    
 H   -4.613200       2.604400     -1.3300000E-02
 H    5.767500      0.3610000      -1.749200    
 H   -6.417700       1.091300     -0.7643000    
 H   -6.136800     -0.6530000     -0.9150000    
 H   -7.359600     -0.1083000      0.9354000    


%chk=000154758-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154758

0 1
O 4.695280 -0.741192 1.622715
O 5.110078 1.221110 -1.564133
O -6.659206 1.101501 0.697071
N -0.328965 1.066057 0.142995
C 2.913062 -0.704309 0.038441
C 4.389132 -0.406233 0.208310
C 1.972277 0.333534 0.125825
C 0.553849 0.026565 0.042326
C 4.798750 1.058565 -0.119857
C 0.122357 -1.354583 -0.141928
C -1.277696 -1.642788 -0.228290
C 2.482557 -2.054964 -0.144500
C -2.201511 -0.556600 -0.133474
C 2.416329 1.723214 0.289374
C 1.131251 -2.376582 -0.232997
C 3.729077 2.074742 0.191223
C -1.665334 0.791460 0.060262
C -3.634010 -0.701853 -0.212395
C -1.726969 -3.079672 -0.417261
C -2.577527 1.899257 0.176979
C -4.490967 0.391823 -0.116305
C -3.948926 1.710925 0.090304
C -5.988028 0.223770 -0.278303
H 4.978222 -1.074082 -0.462432
H 5.712398 1.286257 0.478580
H 3.239391 -2.845978 -0.200495
H 1.634023 2.468348 0.458337
H 0.834567 -3.420280 -0.372108
H 4.044078 3.120390 0.271359
H -4.068614 -1.697786 -0.350849
H -1.344824 -3.722314 0.397683
H -2.820604 -3.186437 -0.433386
H -1.338707 -3.494375 -1.366832
H -2.136890 2.888081 0.336431
H 5.670097 -0.621090 1.773709
H -4.645635 2.547111 0.202928
H 5.940986 0.716593 -1.769840
H -6.283289 0.511683 -1.312756
H -6.269724 -0.838734 -0.122845
H -7.627737 1.137264 0.495337


