%chk=000029193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029193

0 1
 O   0.9952000     -0.4448000      0.8109000    
 O    1.632600     -0.8321000      -1.391400    
 N   -1.323400      -1.926100      0.3684000    
 N    2.947600      -1.561800      0.3750000    
 C    1.155200       2.350700      0.3373000    
 C  -8.9100003E-02   1.559800      9.9799998E-02
 C   -1.293100     -0.5348000      0.1181000    
 C  -0.1215000      0.1871000      0.3460000    
 C   -2.432200      0.1160000     -0.3559000    
 C   -1.228100       2.210600     -0.3741000    
 C   0.9663000       3.431700       1.417300    
 C    1.700200       2.989200     -0.9534000    
 C   -2.399600       1.488700     -0.6020000    
 C   -3.701300     -0.6307000     -0.6094000    
 C  -0.9752000      -2.864100     -0.6777000    
 C   -1.689400      -2.424800       1.677200    
 C    1.851100     -0.9424000     -0.1886000    
 C    4.004700      -2.172000     -0.3973000    
 H    1.955300       1.702200      0.7119000    
 H   -1.227500       3.278600     -0.5731000    
 H   0.2515000       4.201600       1.107900    
 H    1.917900       3.929900       1.632400    
 H   0.6004000       2.989200       2.350600    
 H    1.862800       2.228900      -1.725400    
 H    2.659200       3.483000     -0.7617000    
 H    1.015800       3.740800      -1.361200    
 H   -3.278100       2.011700     -0.9707000    
 H   -3.533200      -1.462600      -1.300900    
 H   -4.116900      -1.014000      0.3275000    
 H   -4.464100      1.0700000E-02  -1.064900    
 H  -2.1199999E-02  -3.350000     -0.4490000    
 H  -0.8849000      -2.376800      -1.654900    
 H   -1.743100      -3.640000     -0.7665000    
 H   -2.680400      -2.066600       1.973400    
 H  -0.9643000      -2.096700       2.429600    
 H   -1.713000      -3.519700       1.695400    
 H    3.014200      -1.591400       1.387800    
 H    4.948200      -1.695900     -0.1198000    
 H    3.832300      -2.057100      -1.469900    
 H    4.045800      -3.233200     -0.1398000    


%chk=000029193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029193

0 1
O 0.960835 -0.377911 0.862035
O 1.622034 -1.070675 -1.316898
N -1.387104 -1.939060 0.246501
N 2.856748 -1.589577 0.619234
C 1.097586 2.470295 0.511449
C -0.182474 1.679209 0.226021
C -1.364062 -0.526346 0.055509
C -0.219388 0.271448 0.359466
C -2.532303 0.144284 -0.434983
C -1.353028 2.307418 -0.263871
C 0.831682 3.783170 1.288374
C 1.853054 2.756095 -0.818222
C -2.495228 1.549577 -0.591957
C -3.807093 -0.622648 -0.730113
C -1.451862 -2.819325 -0.932807
C -0.800703 -2.554850 1.444039
C 1.811037 -1.029404 -0.078430
C 3.936486 -2.320169 -0.047936
H 1.750512 1.834221 1.137930
H -1.371965 3.395559 -0.386288
H 0.233521 4.496826 0.691704
H 1.788721 4.280494 1.533367
H 0.289775 3.590168 2.231872
H 2.062987 1.820016 -1.365796
H 2.811259 3.272256 -0.618641
H 1.245238 3.402935 -1.478420
H -3.395575 2.060926 -0.954186
H -3.836935 -1.002555 -1.770718
H -3.890153 -1.498089 -0.061943
H -4.692502 0.022439 -0.593856
H -0.438543 -3.081748 -1.310345
H -1.990639 -2.321087 -1.753574
H -1.988438 -3.755497 -0.681142
H -0.801545 -1.834085 2.276791
H 0.243510 -2.914591 1.301358
H -1.418156 -3.428191 1.738345
H 2.866941 -1.455829 1.630684
H 4.915164 -1.833175 0.118920
H 3.725068 -2.322916 -1.129063
H 3.992238 -3.366811 0.304492


