%chk=000115604.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115604

0 1
 O   -1.811000     -0.3692000      0.1969000    
 O   -3.501600       1.194100      0.3429000    
 N   0.5186000      9.7400002E-02  0.4582000    
 N    3.284400     -0.5690000      2.8500000E-02
 C    1.558500       1.108900      0.7185000    
 C   0.9420000     -0.4395000     -0.8476000    
 C    1.731800       1.837400     -0.6214000    
 C    1.318800      0.8003000      -1.670400    
 C    2.832600      0.3222000       1.109700    
 C    2.173900      -1.332600     -0.5642000    
 C  -0.8313000      0.6528000      0.4403000    
 C    4.367200      -1.442400      0.4659000    
 C   -3.112200      4.6700001E-02  0.1753000    
 C   -4.001800      -1.145600     -8.8100001E-02
 C   -5.470000     -0.7617000     -0.1446000    
 H    1.295200       1.793900       1.532200    
 H   0.1730000      -1.043500      -1.341300    
 H    2.755100       2.193200     -0.7809000    
 H    1.065700       2.706100     -0.6813000    
 H   0.4547000       1.171200      -2.233900    
 H    2.122500      0.6043000      -2.387800    
 H    3.632100       1.036600       1.341600    
 H    2.632000     -0.2516000       2.025100    
 H    1.874000      -2.156200      9.8300003E-02
 H    2.511200      -1.779500      -1.507400    
 H  -0.9562000       1.443400     -0.3088000    
 H   -1.044300       1.082000       1.427200    
 H    5.213800     -0.8517000      0.8325000    
 H    4.739900      -2.042100     -0.3717000    
 H    4.051100      -2.123700       1.263800    
 H   -3.848300      -1.876300      0.7129000    
 H   -3.707800      -1.593000      -1.043600    
 H   -5.655500     -3.2699998E-02 -0.9404000    
 H   -6.087700      -1.644100     -0.3379000    
 H   -5.796500     -0.3156000      0.8008000    


%chk=000115604-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115604

0 1
O -1.379937 -0.144745 -0.087309
O -3.567511 0.602998 -0.369815
N 0.511996 1.295708 -0.852037
N 2.302584 -0.723768 0.250330
C 1.374685 1.583228 0.325708
C 1.391091 0.475917 -1.729547
C 2.679559 2.078273 -0.365710
C 2.690003 1.334782 -1.746571
C 1.618929 0.270007 1.119752
C 1.637076 -0.907554 -1.066700
C -0.875995 1.207703 -0.814908
C 2.558603 -1.999129 0.939665
C -2.754578 -0.265803 0.041264
C -3.132493 -1.577224 0.728504
C -4.639070 -1.686054 1.023354
H 0.904005 2.339331 0.978942
H 0.933303 0.343338 -2.725933
H 3.567047 1.825192 0.237086
H 2.642813 3.172698 -0.504738
H 2.657699 2.053204 -2.584012
H 3.583504 0.698768 -1.857412
H 2.271751 0.473068 1.991262
H 0.637187 -0.104555 1.497606
H 0.658307 -1.437652 -0.975988
H 2.303640 -1.517417 -1.707586
H -1.327634 1.143200 -1.817471
H -1.341598 2.009475 -0.220355
H 3.141005 -1.814601 1.861063
H 3.153090 -2.663905 0.286328
H 1.622798 -2.542879 1.225671
H -2.531678 -1.664158 1.653509
H -2.797229 -2.405631 0.073889
H -5.228637 -1.582320 0.096741
H -4.873505 -2.662211 1.484549
H -4.966912 -0.886784 1.710171


