%chk=000044344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044344

0 1
 O    4.750700      0.1573000      0.1148000    
 O   -3.643400      -2.078900      0.3888000    
 N   -5.044000      0.3049000     -0.1343000    
 C  -0.8442000      0.2324000     -2.6900001E-02
 C   0.6017000      0.2129000      9.4999997E-03
 C   -1.563900     -0.9411000      0.1995000    
 C   -1.519400       1.424900     -0.2879000    
 C    1.304500       1.350100      0.4076000    
 C    1.293000     -0.9430000     -0.3532000    
 C   -2.958400     -0.9219000      0.1647000    
 C   -3.633100      0.2707000     -9.6299998E-02
 C   -2.913600       1.444100     -0.3226000    
 C    3.390300      0.1754000      8.0200002E-02
 C    2.698700       1.331300      0.4429000    
 C    2.687400     -0.9618000     -0.3179000    
 C    5.393900      -1.057200     -0.2688000    
 H   -1.076300      -1.883400      0.4361000    
 H   -1.001800       2.356300     -0.5004000    
 H   0.8091000       2.262400      0.7283000    
 H   0.7891000      -1.841300     -0.6995000    
 H   -3.427300       2.378600     -0.5338000    
 H    3.241200       2.217800      0.7602000    
 H    3.161600      -1.889700     -0.6189000    
 H   -5.507600       1.185000     -0.3222000    
 H   -5.609100     -0.4908000      0.1201000    
 H   -4.585500      -1.950900      0.2015000    
 H    6.472900     -0.8933000     -0.1805000    
 H    5.139000      -1.879200      0.4087000    
 H    5.193000      -1.305400      -1.316600    


%chk=000044344-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044344

0 1
O 4.852238 0.191535 0.128585
O -3.817824 -2.084763 0.389318
N -5.197347 0.159538 -0.082444
C -0.894346 0.197601 -0.020820
C 0.595897 0.165113 0.008007
C -1.647103 -0.986921 0.200280
C -1.589016 1.417243 -0.271589
C 1.349857 1.290157 0.452761
C 1.318584 -0.984000 -0.405427
C -3.054376 -0.944453 0.163842
C -3.746006 0.276821 -0.087461
C -2.999985 1.453677 -0.302473
C 3.452649 0.108943 0.061662
C 2.753605 1.268775 0.481247
C 2.729524 -1.025185 -0.383876
C 5.618503 -0.987007 -0.282465
H -1.156031 -1.934929 0.438618
H -1.022217 2.330618 -0.479275
H 0.826952 2.183638 0.811184
H 0.772587 -1.856659 -0.781088
H -3.522250 2.396172 -0.506666
H 3.329883 2.129613 0.833750
H 3.245332 -1.929071 -0.721775
H -5.644831 0.279333 -0.997807
H -5.672810 0.700355 0.647672
H -4.770206 -1.742652 0.329324
H 6.673015 -0.707637 -0.142233
H 5.377612 -1.864631 0.348741
H 5.436612 -1.235023 -1.346491


