%chk=000036761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036761

0 1
 O  -0.4940000      -1.184900     -0.2858000    
 N    2.942300      0.1573000     -0.4877000    
 C   0.5457000     -0.2522000     -0.6831000    
 C   0.1578000       1.155200     -0.2037000    
 C    1.872800     -0.7191000     -0.1078000    
 C   -1.303400      0.9633000     -6.9499999E-02
 C   -1.596800     -0.3914000     -9.9600002E-02
 C    4.229400     -0.2890000      5.0900001E-02
 C   -2.883600     -0.8649000      6.7299999E-02
 C   -2.300400       1.901100      0.1273000    
 C   -3.901500      7.1500003E-02  0.2570000    
 C   -3.612100       1.446000      0.2852000    
 C    4.193200     -0.2890000       1.576500    
 C    5.339800      0.6174000     -0.4710000    
 C   -3.189000      -2.321300      4.3900002E-02
 H   0.5865000     -0.2758000      -1.782000    
 H   0.4267000       1.921900     -0.9359000    
 H   0.5863000       1.402900      0.7734000    
 H    2.062500      -1.741800     -0.4583000    
 H    1.745500     -0.7901000      0.9784000    
 H    2.755700       1.110100     -0.1775000    
 H    4.443700      -1.305500     -0.3024000    
 H   -2.075800       2.961500      0.1658000    
 H   -4.931900     -0.2495000      0.3889000    
 H   -4.416100       2.160700      0.4393000    
 H    3.579600      -1.100300       1.979900    
 H    3.822300      0.6618000       1.976000    
 H    5.201600     -0.4387000       1.979800    
 H    5.202600       1.653300     -0.1407000    
 H    6.317800      0.2779000     -0.1129000    
 H    5.368200      0.6122000      -1.566400    
 H   -2.923700      -2.749700     -0.9281000    
 H   -2.628900      -2.840600      0.8284000    
 H   -4.253200      -2.517000      0.2136000    


%chk=000036761-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036761

0 1
O -0.541774 -1.092216 -0.288967
N 2.982632 0.238761 -0.233969
C 0.575705 -0.121946 -0.609218
C 0.029919 1.297124 -0.252434
C 1.816868 -0.574464 0.169375
C -1.470304 1.064089 -0.122488
C -1.713828 -0.326975 -0.125182
C 4.326400 -0.318219 0.076623
C -2.996689 -0.896569 0.024730
C -2.542617 1.959415 0.034199
C -4.063143 0.028874 0.178761
C -3.850226 1.429262 0.182149
C 4.599288 -0.509471 1.594895
C 5.396464 0.582957 -0.571983
C -3.197842 -2.396925 0.016085
H 0.768747 -0.210465 -1.694107
H 0.288397 2.034080 -1.032028
H 0.454157 1.657542 0.707295
H 2.026188 -1.629057 -0.089948
H 1.581464 -0.546675 1.260070
H 2.904319 1.214761 0.087429
H 4.369109 -1.314401 -0.409637
H -2.376538 3.042547 0.042143
H -5.081416 -0.362486 0.293770
H -4.703447 2.106134 0.298855
H 3.833495 -1.153625 2.064435
H 4.594798 0.467598 2.116558
H 5.585987 -0.980456 1.762800
H 5.375843 1.598683 -0.129266
H 6.409110 0.170168 -0.414692
H 5.213578 0.676414 -1.656199
H -2.818581 -2.844641 -0.921368
H -2.641223 -2.879915 0.840955
H -4.265238 -2.656604 0.119561


