%chk=000058751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058751

1 1
 O    4.175000      -1.817500      6.3600004E-02
 O    2.003000      -1.703200     -0.2731000    
 N   -3.298400     -0.4481000      0.1090000    
 N   0.9036000      0.6639000     -0.1519000    
 N    3.214500      0.1502000      0.1547000    
 N    2.554400       2.317400      0.3216000    
 N    3.106600      -1.204500     -3.1900000E-02
 C   -1.923600      7.5999998E-02  0.4984000    
 C   -1.472000       1.101500     -0.5334000    
 C   -3.228700      -1.075200      -1.275900    
 C   -3.746400      -1.495500       1.118300    
 C   -4.294800      0.7021000      9.5399998E-02
 C  -0.1189000       1.710800     -0.1843000    
 C    2.125700       1.022200      8.9599997E-02
 H   -2.004700      0.5187000       1.498100    
 H   -1.244800     -0.7834000      0.5450000    
 H   -1.368900      0.6533000      -1.526500    
 H   -2.171000       1.938000     -0.6149000    
 H   -2.381800      -1.767100      -1.307900    
 H   -4.161800      -1.623000      -1.444400    
 H   -3.142200     -0.2994000      -2.040500    
 H   -3.788200      -1.026900       2.106000    
 H   -4.735700      -1.861900      0.8283000    
 H   -3.020400      -2.314100       1.111800    
 H   -4.197400       1.264900       1.028400    
 H   -4.129200       1.339700     -0.7761000    
 H   -5.300500      0.2750000      2.3300000E-02
 H  -0.1877000       2.210300      0.7898000    
 H   0.1284000       2.461400     -0.9449000    
 H    4.117200      0.5747000      0.3535000    
 H    1.918500       3.106700      0.3221000    
 H    3.530700       2.523000      0.5038000    


%chk=000058751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058751

1 1
O 2.373113 -2.533659 -0.505031
O 0.610054 -1.505515 0.536691
N -2.895718 -0.445997 0.118562
N 0.613310 1.144023 -0.590604
N 2.450515 -0.276953 -0.183574
N 2.609767 1.933885 0.557471
N 1.756947 -1.504804 -0.051139
C -1.928386 0.675130 0.584234
C -1.709948 1.834177 -0.409357
C -2.357599 -1.139291 -1.135630
C -2.963495 -1.485929 1.239137
C -4.285971 0.115589 -0.146561
C -0.233652 2.314026 -0.310083
C 1.801751 1.005407 -0.084304
H -2.332779 1.036156 1.546705
H -0.968717 0.157429 0.752717
H -1.858742 1.503180 -1.452151
H -2.399360 2.675677 -0.219665
H -1.317983 -1.443251 -0.943752
H -2.988183 -2.017413 -1.345053
H -2.392622 -0.447237 -1.987708
H -3.311894 -0.998974 2.162860
H -3.665046 -2.283416 0.949461
H -1.956844 -1.905611 1.388431
H -4.676098 0.562918 0.780739
H -4.223288 0.882360 -0.932050
H -4.948766 -0.699427 -0.476396
H -0.039048 2.760026 0.692884
H -0.073260 3.112235 -1.061616
H 3.362516 -0.403594 -0.636504
H 2.419963 2.930549 0.473319
H 3.389964 1.638305 1.142965


