%chk=000055661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055661

0 1
 O    3.235700     -0.1686000     -0.7439000    
 O    3.498800      -2.455800     -0.9531000    
 N  -0.3542000      -1.107000      0.9928000    
 N   0.8806000      -2.842900      0.3217000    
 C   0.7824000     -0.5824000      0.4513000    
 C   -1.489700     -0.4342000       1.576600    
 C    1.208000      0.7827000      0.2897000    
 C    1.522900      -1.667000      4.7699999E-02
 C    2.460300      0.9581000     -0.3218000    
 C  -0.2481000      -2.471500      0.8916000    
 C   -2.540900     -0.1331000      0.5427000    
 C   0.4789000       1.900200      0.6876000    
 C    2.811000      -1.512600     -0.5819000    
 C    2.993500       2.224400     -0.5409000    
 C   -2.899200      -1.112300     -0.3741000    
 C   -3.138400       1.119700      0.5192000    
 C    1.007400       3.176800      0.4712000    
 C    2.256900       3.337600     -0.1394000    
 C   -3.873300     -0.8332000      -1.332700    
 C   -4.112700       1.398800     -0.4393000    
 C   -4.480000      0.4224000      -1.365200    
 H   -1.165700      0.4080000       2.186600    
 H   -1.935700      -1.130400       2.301300    
 H   -1.011300      -3.145600       1.257700    
 H  -0.4909000       1.870500       1.149200    
 H    3.961800       2.350100      -1.014500    
 H   -2.476800      -2.109600     -0.3696000    
 H   -2.870700       1.885700       1.240900    
 H   0.4423000       4.053600      0.7763000    
 H    2.653300       4.336200     -0.3014000    
 H   -4.164600      -1.595200      -2.049700    
 H   -4.587300       2.375400     -0.4630000    
 H   -5.240100      0.6390000      -2.110200    


%chk=000055661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055661

0 1
O 3.289017 -0.233051 -0.631020
O 3.790375 -2.491079 -0.647203
N -0.343397 -1.243879 1.149701
N 1.066545 -2.986120 0.685228
C 0.780180 -0.677221 0.534247
C -1.557549 -0.591615 1.669055
C 1.132791 0.690164 0.211949
C 1.637708 -1.774704 0.265594
C 2.433453 0.846778 -0.370029
C -0.112922 -2.631075 1.208056
C -2.533400 -0.105460 0.596067
C 0.343722 1.860838 0.402159
C 2.948656 -1.634097 -0.348159
C 2.931960 2.118742 -0.724192
C -2.561941 -0.678619 -0.697446
C -3.462314 0.913517 0.924143
C 0.838186 3.128199 0.048055
C 2.135788 3.259218 -0.511137
C -3.510025 -0.239223 -1.649095
C -4.413050 1.349059 -0.025100
C -4.438754 0.773060 -1.316608
H -1.267470 0.241860 2.334948
H -2.059484 -1.341399 2.310104
H -0.840143 -3.313550 1.643980
H -0.670553 1.781120 0.799988
H 3.931969 2.183743 -1.162053
H -1.842948 -1.460226 -0.967225
H -3.446396 1.366503 1.924276
H 0.214055 4.014892 0.197612
H 2.519003 4.247303 -0.786122
H -3.520664 -0.685652 -2.649422
H -5.126504 2.137188 0.239489
H -5.171694 1.112588 -2.056444


