%chk=000127572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127572

0 1
 O    3.410200       1.037400      0.9475000    
 O    4.042200      -1.563400      0.3177000    
 N   -3.386200     -0.4426000     -0.6637000    
 N   -1.903500     -0.5299000       1.060400    
 C   -1.091000      0.4606000      -1.038700    
 C   -1.229700       1.985500     -0.9522000    
 C  -0.5731000       2.536500      0.3097000    
 C   0.2866000     -4.3400001E-02 -0.6717000    
 C   0.9177000       2.212800      0.3243000    
 C    1.217500      0.7714000     -1.9999999E-04
 C   -2.141700     -0.1787000     -0.1778000    
 C   0.6381000      -1.366700     -0.9881000    
 C    2.482100      0.2541000      0.3217000    
 C   -4.179000      -1.086600      0.3394000    
 C   -3.200200      -1.114200       1.523000    
 C    2.816100      -1.061000      1.3000000E-03
 C    1.894000      -1.871700     -0.6527000    
 H   -1.296300      0.1739000      -2.079400    
 H   -2.284200       2.285500     -0.9791000    
 H  -0.7496000       2.442600      -1.827700    
 H   -1.058000       2.119900       1.200600    
 H  -0.7107000       3.623000      0.3571000    
 H    1.288500       2.470100       1.323600    
 H    1.434100       2.847600     -0.4065000    
 H  -7.0500001E-02  -2.013200      -1.500800    
 H   -3.716100     -0.2457000      -1.600600    
 H   -4.463700      -2.097400      3.2800000E-02
 H   -5.079000     -0.5112000      0.5744000    
 H   -3.583600     -0.5235000       2.361800    
 H   -3.036000      -2.139100       1.872000    
 H    2.145700      -2.897600     -0.9071000    
 H    3.203800       1.977500      0.8284000    
 H    4.552300     -0.8659000      0.7649000    


%chk=000127572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127572

0 1
O 3.481431 0.465828 0.867552
O 3.894770 -1.852403 -0.433212
N -2.226954 -1.218667 0.180996
N -3.423328 0.744029 0.157322
C -1.210421 0.783397 -1.034625
C -1.139157 2.298362 -0.719971
C -0.490793 2.524562 0.660533
C 0.152330 0.103011 -0.861771
C 0.969885 2.016357 0.682060
C 1.155159 0.677082 -0.027795
C -2.312775 0.123061 -0.198089
C 0.430991 -1.105706 -1.550848
C 2.389179 -0.001073 0.091562
C -3.392284 -1.576821 1.020298
C -4.266855 -0.270725 0.880600
C 2.656197 -1.219078 -0.581373
C 1.668485 -1.772360 -1.416027
H -1.519485 0.658729 -2.092638
H -2.162277 2.709214 -0.727721
H -0.546769 2.808123 -1.505569
H -1.092408 1.994330 1.422414
H -0.510316 3.598114 0.924574
H 1.306471 1.951052 1.740425
H 1.619624 2.771239 0.188232
H -0.327859 -1.522868 -2.223387
H -1.363293 -1.757549 0.137810
H -3.090282 -1.768957 2.069735
H -3.910619 -2.475031 0.638591
H -5.183235 -0.461493 0.290775
H -4.579410 0.130744 1.860838
H 1.885122 -2.699969 -1.953165
H 3.256217 1.295444 1.353379
H 4.459457 -1.303379 0.172794


