%chk=000112843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112843

0 1
 O   -1.371300      0.4060000      0.9047000    
 O  -0.8058000     -0.7791000      -1.034300    
 N   -7.854400     -0.4257000     -0.7476000    
 C    3.761100      0.4893000     -0.2225000    
 C    3.259300     -0.8435000      0.3493000    
 C    2.862300       1.649400      0.2265000    
 C   0.9039000      6.6399999E-02  0.4371000    
 C    1.795300      -1.093600     -6.3000000E-03
 C    1.398000       1.398500     -0.1276000    
 C    5.211000      0.7403000      0.1881000    
 C    6.135200     -0.3454000     -0.3550000    
 C  -0.5038000     -0.1708000     -1.6000001E-02
 C    7.589000     -7.3299997E-02  3.0800000E-02
 C    8.522800      -1.131700     -0.5342000    
 C   -2.714800      0.2342000      0.5630000    
 C   -3.377800     -0.8816000       1.024500    
 C   -3.324800       1.186900     -0.2230000    
 C   -4.718900      -1.053600      0.6823000    
 C   -4.666100       1.014800     -0.5651000    
 C   -5.363100     -0.1055000     -0.1123000    
 C   -6.737100     -0.2821000     -0.4627000    
 H    3.714100      0.4330000      -1.319000    
 H    3.375400     -0.8540000       1.440500    
 H    3.832000      -1.688300     -4.4500001E-02
 H    3.192100       2.582800     -0.2451000    
 H    2.951200       1.792900       1.311000    
 H   0.9187000      0.1000000       1.534700    
 H    1.717100      -1.246300      -1.090900    
 H    1.457800      -2.026600      0.4619000    
 H   0.7843000       2.222000      0.2577000    
 H    1.280300       1.412500      -1.219200    
 H    5.293500      0.7864000       1.281300    
 H    5.534900       1.715800     -0.1961000    
 H    5.869100      -1.328400      4.5299999E-02
 H    6.046300     -0.3989000      -1.446800    
 H    7.687600     -5.0799999E-02   1.122500    
 H    7.896200      0.9104000     -0.3432000    
 H    8.472000      -1.156700      -1.627400    
 H    8.264900      -2.125700     -0.1551000    
 H    9.556800     -0.9167000     -0.2472000    
 H   -2.876400      -1.619100       1.643400    
 H   -2.782100       2.058800     -0.5747000    
 H   -5.248800      -1.932000       1.042900    
 H   -5.154500       1.762700      -1.185300    


%chk=000112843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112843

0 1
O -1.435830 0.236206 0.529041
O -0.803172 -1.782977 -0.517417
N -8.273419 0.469418 -0.093535
C 3.799445 0.182016 -0.380098
C 3.359706 -0.857995 0.682938
C 2.761665 1.331194 -0.448061
C 0.908528 -0.225184 0.370904
C 1.927931 -1.385953 0.436326
C 1.328719 0.819435 -0.714218
C 5.222303 0.737035 -0.117245
C 6.357315 -0.307237 -0.225844
C -0.490305 -0.727807 0.066883
C 7.764579 0.313216 -0.067818
C 8.897945 -0.730245 -0.169410
C -2.842066 0.166687 0.341455
C -3.543322 -0.880133 -0.307775
C -3.529522 1.281444 0.879556
C -4.945788 -0.789755 -0.412872
C -4.926836 1.362130 0.770411
C -5.650954 0.323102 0.119503
C -7.082835 0.401784 0.003015
H 3.806294 -0.326915 -1.370429
H 3.416161 -0.385962 1.687432
H 4.060290 -1.713824 0.695351
H 3.047508 2.048065 -1.242987
H 2.780226 1.893307 0.509780
H 0.873160 0.303946 1.343773
H 1.889721 -1.949890 -0.515471
H 1.640482 -2.095712 1.235203
H 0.611727 1.661234 -0.720310
H 1.285844 0.336924 -1.711511
H 5.248602 1.204312 0.890630
H 5.423631 1.553688 -0.842722
H 6.227100 -1.094833 0.543473
H 6.292528 -0.817963 -1.209826
H 7.825484 0.832645 0.910545
H 7.907603 1.093944 -0.842769
H 8.877908 -1.243551 -1.149416
H 8.796310 -1.503770 0.615281
H 9.892475 -0.261422 -0.054079
H -3.007648 -1.736609 -0.716418
H -2.953064 2.068096 1.374206
H -5.500672 -1.589992 -0.912289
H -5.463259 2.221602 1.183213


