%chk=000177294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177294

0 1
 O   -4.022400       2.293100      0.3546000    
 O   -5.511200      7.6099999E-02 -0.4112000    
 O    5.463800       2.447600     -0.6922000    
 O    6.528400     -1.2600000E-02  3.5999998E-02
 N   0.6620000      -1.711100      5.1199999E-02
 C   0.1004000     -0.4114000      0.4947000    
 C   0.9081000      0.7045000     -0.2133000    
 C  -0.1864000      -2.832000      0.4648000    
 C   -1.398700     -0.2743000      0.2357000    
 C    2.029600      -1.884600      0.5697000    
 C   -1.522700      -2.749200     -0.2687000    
 C   -2.170700      -1.400700     -0.1068000    
 C    2.402800      0.5137000     -0.1301000    
 C    2.940800     -0.7364000      0.2130000    
 C   -2.051200      0.9581000      0.4067000    
 C   -3.548000      -1.266900     -0.3369000    
 C    3.262900       1.574700     -0.4436000    
 C    4.331500     -0.8977000      0.2765000    
 C   -3.424800       1.079700      0.1893000    
 C   -4.171600     -3.0400001E-02 -0.1899000    
 C    4.645700       1.401300     -0.3896000    
 C    5.179500      0.1670000     -2.6799999E-02
 C   -4.521900       2.597400       1.655300    
 C   -5.925800      0.3939000      -1.738500    
 H   0.2321000     -0.3197000       1.583600    
 H   0.6669000       1.675700      0.2352000    
 H   0.6321000      0.7534000      -1.275600    
 H  -0.3412000      -2.828700       1.552200    
 H   0.2847000      -3.788000      0.2050000    
 H    2.451000      -2.802300      0.1401000    
 H    2.023300      -1.993500       1.662300    
 H   -2.185300      -3.531500      0.1204000    
 H   -1.375900      -2.937700      -1.339800    
 H   -1.492900       1.837200      0.7183000    
 H   -4.136300      -2.135600     -0.6245000    
 H    2.844700       2.537500     -0.7283000    
 H    4.754200      -1.858200      0.5622000    
 H    4.919300       3.220800     -0.9197000    
 H    6.960200      0.8256000     -0.2043000    
 H   -3.707500       2.605000       2.386700    
 H   -5.287900       1.874400       1.953000    
 H   -4.973700       3.592600       1.624500    
 H   -5.604700     -0.3851000      -2.437100    
 H   -5.523000       1.364200      -2.046000    
 H   -7.017800      0.4482000      -1.752400    


%chk=000177294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177294

0 1
O -3.981571 2.317227 0.416595
O -5.556981 -0.021805 -0.392536
O 5.651287 2.393713 -0.790947
O 6.638918 0.063266 0.164822
N 0.718334 -1.757340 0.145588
C 0.162972 -0.412814 0.454684
C 0.930678 0.611889 -0.420879
C -0.151505 -2.878263 0.558126
C -1.349527 -0.335539 0.230590
C 2.099631 -1.898482 0.649399
C -1.453871 -2.835682 -0.256803
C -2.120735 -1.476010 -0.122254
C 2.436452 0.467589 -0.258983
C 2.995212 -0.737526 0.237518
C -2.007968 0.905131 0.418170
C -3.513725 -1.333013 -0.331808
C 3.300938 1.537071 -0.611125
C 4.399327 -0.862343 0.380857
C -3.395574 1.040193 0.229312
C -4.157227 -0.089888 -0.186103
C 4.690870 1.401106 -0.472058
C 5.251277 0.195941 0.028015
C -4.970065 2.378842 1.518531
C -5.968231 0.867920 -1.503470
H 0.359514 -0.154977 1.531844
H 0.621888 1.642401 -0.162094
H 0.636347 0.436817 -1.474100
H -0.386141 -2.850426 1.653697
H 0.390461 -3.822183 0.361612
H 2.515732 -2.845232 0.254401
H 2.117478 -1.984606 1.770433
H -2.143252 -3.633304 0.079728
H -1.208015 -3.037265 -1.317693
H -1.455813 1.796687 0.735070
H -4.124988 -2.196331 -0.618327
H 2.873826 2.474514 -0.993027
H 4.849204 -1.785262 0.762407
H 5.229717 3.208947 -1.152710
H 7.068370 0.905850 -0.138960
H -4.471554 2.182155 2.486971
H -5.783527 1.647504 1.361441
H -5.364724 3.406383 1.502391
H -5.582041 0.478082 -2.464585
H -5.600199 1.897436 -1.342801
H -7.068797 0.845727 -1.505239


