%chk=000059489.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059489

0 1
 O    2.633800       1.732600     -0.8119000    
 O  -0.6183000      0.5239000      0.1053000    
 O   0.4945000      0.5871000      -1.910800    
 N   -4.013300     -0.8990000     -0.1172000    
 C    1.147200       2.716800      0.7605000    
 C    1.936300       3.968600      0.5109000    
 C   0.5681000       3.812600     -8.5400000E-02
 C    1.581200       1.426000      0.1020000    
 C    2.132600      0.4451000       1.161800    
 C   0.4444000      0.8028000     -0.7058000    
 C    2.694300     -0.8446000      0.6058000    
 C   -1.749700     -6.8700001E-02 -0.5400000    
 C    4.042900     -0.9256000      0.2582000    
 C    1.863700      -1.953000      0.4400000    
 C   -2.833100     -0.3113000      0.4989000    
 C    4.560600      -2.114900     -0.2549000    
 C    2.381600      -3.142200     -7.2899997E-02
 C    3.729900      -3.223200     -0.4205000    
 C   -4.798800      0.1237000     -0.8124000    
 C   -4.839400      -1.575300      0.8860000    
 C   -5.996700     -0.4893000      -1.517600    
 C   -5.361800     -0.5924000       1.920100    
 H   0.6971000       2.574400       1.736000    
 H    2.044200       4.660200       1.340000    
 H    2.776800       3.995100     -0.1689000    
 H   0.4996000       3.679900      -1.157800    
 H  -0.2352000       4.403900      0.3379000    
 H    1.357300      0.2039000       1.901900    
 H    2.929900      0.9414000       1.733200    
 H    2.263200       2.236300      -1.556500    
 H   -2.086400      0.6158000      -1.324900    
 H   -1.445200      -1.017400     -0.9989000    
 H    4.700800     -6.9600001E-02  0.3821000    
 H   0.8128000      -1.907300      0.7119000    
 H   -3.044300      0.6285000       1.025700    
 H   -2.404500     -0.9855000       1.253200    
 H    5.610500      -2.178100     -0.5256000    
 H    1.735100      -4.005500     -0.2006000    
 H    4.133200      -4.149300     -0.8197000    
 H   -5.110800      0.9584000     -0.1748000    
 H   -4.187900      0.5725000      -1.603800    
 H   -5.663800      -2.135000      0.4318000    
 H   -4.237900      -2.341900       1.391700    
 H   -6.424700      0.2408000      -2.214000    
 H   -6.796700     -0.7667000     -0.8247000    
 H   -5.714600      -1.370300      -2.104500    
 H   -5.898900      -1.155200       2.693400    
 H   -6.085200      0.1205000       1.514900    
 H   -4.573000     -4.3600000E-02   2.442000    


%chk=000059489-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059489

0 1
O 2.739678 1.858245 -0.998958
O -0.564837 0.648034 0.020643
O 0.525976 0.745525 -2.033265
N -4.019312 -0.796393 -0.135096
C 1.180153 2.985782 0.525200
C 2.191934 4.117627 0.732992
C 1.124357 4.228835 -0.368337
C 1.660011 1.636038 -0.035667
C 2.180677 0.726350 1.123390
C 0.497782 0.963181 -0.795192
C 2.553067 -0.685214 0.699466
C -1.737400 -0.020937 -0.635022
C 3.740856 -0.936097 -0.036830
C 1.712234 -1.781309 1.024329
C -2.786944 -0.233508 0.463860
C 4.076738 -2.248831 -0.436434
C 2.046982 -3.096293 0.628047
C 3.231873 -3.334347 -0.105503
C -4.951517 0.248931 -0.630696
C -4.638191 -1.894896 0.647416
C -6.036775 -0.298771 -1.575353
C -5.292845 -1.492995 1.997696
H 0.387223 2.878767 1.273601
H 2.094267 4.739761 1.627465
H 3.215045 3.931702 0.395447
H 1.476699 4.123928 -1.398103
H 0.292076 4.924389 -0.228151
H 1.401381 0.696862 1.906233
H 3.057098 1.256069 1.540532
H 2.425801 1.509120 -1.880064
H -2.102997 0.630313 -1.448317
H -1.402874 -0.977089 -1.071127
H 4.390915 -0.094088 -0.296375
H 0.792759 -1.599471 1.595152
H -2.962249 0.730107 0.995930
H -2.381383 -0.940847 1.210113
H 4.997671 -2.426407 -1.003799
H 1.388865 -3.932042 0.892922
H 3.495587 -4.352786 -0.412765
H -5.435792 0.807572 0.209691
H -4.346726 0.992116 -1.184468
H -5.391356 -2.391882 0.009076
H -3.850396 -2.649368 0.834566
H -6.623076 0.535225 -2.002465
H -6.744133 -0.967169 -1.052555
H -5.574092 -0.863605 -2.403823
H -5.681139 -2.390650 2.514021
H -6.139697 -0.797889 1.851549
H -4.562574 -1.005691 2.670132


