%chk=000049074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049074

0 1
 O    3.121700      -2.809800     -0.6507000    
 O  -0.5553000       1.029600     -0.1250000    
 O   -1.492800      0.8488000      -2.210200    
 N    2.774500     -0.1798000      0.3809000    
 C    1.601300       2.058700      0.3999000    
 C    2.072800      0.8107000       1.194700    
 C   0.5711000       1.687700     -0.6908000    
 C    1.890500     -0.7191000     -0.6618000    
 C    3.290300      -1.271900       1.217900    
 C    2.793800       2.769500     -0.2675000    
 C   0.9535000       3.037300       1.402200    
 C    2.640100      -1.759100      -1.489600    
 C    4.007600      -2.298000      0.3455000    
 C   -1.541700      0.6501000      -1.000700    
 C   -2.643600     -1.3400000E-02 -0.3023000    
 C   -3.935300      8.2800001E-02 -0.8073000    
 C   -2.387800     -0.7337000      0.8589000    
 C   -4.985500     -0.5497000     -0.1419000    
 C   -3.438100      -1.366300       1.524100    
 C   -4.736900      -1.274300       1.023700    
 H    1.218600      0.3502000       1.710400    
 H    2.755000       1.154800       1.984500    
 H   0.1546000       2.669500     -0.9792000    
 H   0.8843000       1.385700      -1.689500    
 H    1.715400     -3.5300002E-02  -1.462000    
 H   0.9712000      -1.151200     -0.2534000    
 H    2.466300      -1.761600       1.753200    
 H    3.996000     -0.8832000       1.960900    
 H    3.558600       3.034900      0.4709000    
 H    3.267500       2.139600      -1.028100    
 H    2.474800       3.694100     -0.7621000    
 H    1.671500       3.345300       2.171200    
 H   0.5990000       3.946400      0.9035000    
 H   9.8399997E-02   2.581800       1.913900    
 H    1.968200      -2.207500      -2.229400    
 H    3.484500      -1.318400      -2.035100    
 H    4.894000      -1.869400     -0.1379000    
 H    4.340500      -3.141200      0.9592000    
 H   -4.144800      0.6458000      -1.712800    
 H   -1.384600     -0.8328000       1.264400    
 H   -5.996900     -0.4777000     -0.5310000    
 H   -3.244400      -1.933000       2.430200    
 H   -5.554500      -1.767300       1.541400    


%chk=000049074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049074

0 1
O 3.785650 -2.820873 -0.713828
O -0.577569 1.030539 -0.085979
O -1.577239 1.387708 -2.161081
N 2.585231 -0.402994 0.345673
C 1.606641 1.942815 0.598569
C 1.983474 0.584203 1.275188
C 0.660763 1.698037 -0.590647
C 1.782062 -1.637336 0.154964
C 4.004081 -0.736768 0.620747
C 2.878003 2.618880 0.025596
C 0.937573 2.858719 1.653011
C 2.378743 -2.476833 -0.986570
C 4.570664 -1.589641 -0.527681
C -1.641227 0.942551 -0.987443
C -2.832008 0.267014 -0.390849
C -3.977578 0.094719 -1.210840
C -2.846650 -0.196395 0.950650
C -5.127720 -0.535735 -0.694057
C -4.000147 -0.826418 1.463902
C -5.141222 -0.997531 0.644057
H 1.066898 0.160176 1.733158
H 2.684015 0.802618 2.109792
H 0.370437 2.641005 -1.088607
H 1.135415 1.028071 -1.330114
H 0.742733 -1.356238 -0.094781
H 1.757050 -2.258583 1.085552
H 4.115747 -1.301433 1.580733
H 4.590475 0.196960 0.704843
H 3.588717 2.857720 0.839034
H 3.381932 1.948118 -0.693570
H 2.632097 3.565253 -0.491906
H 1.618137 3.032028 2.507951
H 0.686412 3.843753 1.217138
H 0.004351 2.409718 2.037313
H 1.854953 -3.441421 -1.090336
H 2.310865 -1.909395 -1.940171
H 4.563495 -0.994724 -1.467147
H 5.597737 -1.925502 -0.307680
H -3.942150 0.461547 -2.242018
H -1.959131 -0.056634 1.574178
H -6.010603 -0.667547 -1.328702
H -4.012248 -1.183184 2.499551
H -6.035457 -1.487366 1.045611


