%chk=000040217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040217

0 1
 O    5.757900     -1.1100000E-02  0.5273000    
 O  -0.4256000      0.6839000     -0.9643000    
 O  -0.4973000      -2.459500      0.1904000    
 O   -1.450300      -2.403500      -1.904200    
 N    3.162600      0.9317000     -0.1634000    
 C    3.358000     -0.3644000      0.5008000    
 C    4.342100       1.264900     -0.9741000    
 C    1.954800      0.9165000     -0.9861000    
 C    4.629600     -0.3277000       1.343500    
 C    5.591100       1.262300     -9.7300000E-02
 C   0.7237000      0.6737000     -0.1278000    
 C   -1.854300       2.934700      1.2800000E-02
 C   -2.365000       1.536800      0.1353000    
 C   -1.633700      0.4598000     -0.3574000    
 C   -2.122000     -0.8381000     -0.2359000    
 C   -3.595000       1.314000      0.7545000    
 C   -3.352100      -1.060800      0.3831000    
 C   -2.775900       3.823600     -0.8423000    
 C   -1.614400       3.594100       1.383300    
 C   -4.088500      1.5300000E-02  0.8782000    
 C   -1.348600      -1.961000     -0.7552000    
 C   -3.906500      -2.440500      0.5301000    
 C   0.3203000      -3.567800     -0.2007000    
 C    1.189100      -3.976900      0.9695000    
 H    2.548300     -0.6028000       1.194700    
 H    3.430300      -1.170500     -0.2407000    
 H    4.464500      0.5349000      -1.784900    
 H    4.226600       2.257200      -1.424700    
 H    1.832900       1.880900      -1.496100    
 H    2.010500      0.1589000      -1.779400    
 H    4.809200      -1.310700       1.790800    
 H    4.553600      0.3997000       2.161100    
 H    5.547800       2.044000      0.6710000    
 H    6.477800       1.450300     -0.7112000    
 H   0.6375000       1.455000      0.6368000    
 H   0.7597000     -0.2921000      0.3770000    
 H  -0.8868000       2.946100     -0.5015000    
 H   -4.186800       2.135700       1.148200    
 H   -3.755800       3.969100     -0.3751000    
 H   -2.937800       3.378800      -1.830500    
 H   -2.328000       4.812600     -0.9884000    
 H  -0.9451000       2.983300       1.999100    
 H   -1.150600       4.578800       1.259000    
 H   -2.546900       3.735000       1.940100    
 H   -5.048500     -0.1401000       1.363400    
 H   -3.238800      -3.059800       1.138000    
 H   -4.884800      -2.436400       1.023200    
 H   -4.040700      -2.907300     -0.4513000    
 H   0.9517000      -3.272000      -1.045900    
 H  -0.3201000      -4.404800     -0.4995000    
 H   0.5707000      -4.257300       1.828500    
 H    1.820300      -3.142500       1.291800    
 H    1.829800      -4.822400      0.7041000    


%chk=000040217-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040217

0 1
O 5.989898 0.572441 0.727781
O -0.437339 0.351493 -0.834148
O -0.479898 -2.450687 -0.017311
O -2.198775 -2.978481 -1.490881
N 3.197966 0.776173 -0.067162
C 3.676254 -0.331168 0.801884
C 4.295251 1.231105 -0.961991
C 1.965807 0.441583 -0.818567
C 4.901691 0.123703 1.611480
C 5.506101 1.672047 -0.125002
C 0.725930 0.443075 0.085083
C -1.676584 2.872284 0.029644
C -2.343663 1.505676 0.205391
C -1.709264 0.301400 -0.204244
C -2.369639 -0.955605 -0.120528
C -3.646724 1.396323 0.747467
C -3.697950 -1.040108 0.391802
C -2.528912 3.801707 -0.875413
C -1.390199 3.548461 1.397458
C -4.306960 0.154625 0.843656
C -1.708859 -2.198646 -0.638878
C -4.448826 -2.357847 0.468408
C 0.244536 -3.670301 -0.497901
C 1.456201 -3.856063 0.409362
H 2.872413 -0.627227 1.500803
H 3.953687 -1.230219 0.192279
H 4.614613 0.421103 -1.665429
H 3.934365 2.085446 -1.565146
H 1.812486 1.215015 -1.593937
H 2.037910 -0.541612 -1.346214
H 5.322401 -0.710075 2.197704
H 4.608548 0.950671 2.293820
H 5.222545 2.539402 0.509435
H 6.359039 1.943895 -0.768480
H 0.689295 1.384722 0.666824
H 0.695186 -0.422105 0.771835
H -0.714226 2.709786 -0.488838
H -4.163596 2.303202 1.083183
H -3.510141 4.024989 -0.416565
H -2.712006 3.337662 -1.860849
H -2.006972 4.763418 -1.036345
H -0.759669 2.908816 2.041906
H -0.868607 4.512580 1.251361
H -2.329794 3.752584 1.944403
H -5.319136 0.108286 1.261090
H -3.881218 -3.122592 1.030858
H -5.422841 -2.221072 0.967358
H -4.622593 -2.772740 -0.539872
H 0.524148 -3.507242 -1.554657
H -0.451294 -4.527355 -0.456543
H 1.144561 -3.993456 1.459092
H 2.132548 -2.985510 0.355333
H 2.022806 -4.751964 0.095899


