%chk=000051920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051920

0 1
 O    2.126200       2.096000     -0.9043000    
 O    6.190800     -5.7300001E-02 -0.2968000    
 O   0.4613000      0.6167000       1.969600    
 O   -5.941600      -1.274100      -1.552300    
 N    4.216800      -1.224300      7.4800000E-02
 N    4.187500       1.055500     -0.6080000    
 N   0.7473000     -0.1077000     -0.2212000    
 N    2.145600      -2.424800      0.4593000    
 N   -5.585800      0.3330000      0.1357000    
 C    2.117000     -0.1586000     -0.2219000    
 C    2.813600      -1.268900      0.1040000    
 C    2.795500       1.105600     -0.6101000    
 C    4.955000     -7.9099998E-02 -0.2762000    
 C    4.962200      -2.436300      0.4294000    
 C    4.925500       2.260200     -0.9768000    
 C   3.5999999E-03  0.2789000      0.8806000    
 C   -1.469400      0.2939000      0.6837000    
 C   -2.234500       1.149800       1.447800    
 C   -2.023600     -0.5495000     -0.2565000    
 C   -4.203000      0.3201000      0.3191000    
 C   -3.617100       1.163000       1.263500    
 C   -3.406200     -0.5363000     -0.4410000    
 C   -6.347700     -0.4339000     -0.7562000    
 C   -7.819100     -0.1218000     -0.6464000    
 H   0.3101000     -0.1206000      -1.138800    
 H    4.717300      -2.723100       1.457200    
 H    6.043200      -2.283700      0.3707000    
 H    4.696700      -3.239800     -0.2650000    
 H    5.551200       2.036500      -1.846900    
 H    4.264800       3.097500      -1.213300    
 H    5.580300       2.540500     -0.1454000    
 H    1.132900      -2.433500      0.4682000    
 H    2.656400      -3.261500      0.7047000    
 H   -1.793700       1.816000       2.183300    
 H   -1.438400      -1.250200     -0.8435000    
 H   -4.225700       1.836200       1.862000    
 H   -3.787800      -1.221700      -1.184800    
 H   -6.096300      0.9846000      0.7282000    
 H   -8.173600     -0.3628000      0.3596000    
 H   -8.379500     -0.7166000      -1.373100    
 H   -7.989800      0.9391000     -0.8500000    


%chk=000051920-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051920

0 1
O 1.824324 1.147751 -1.909876
O 6.256385 0.108194 -0.781670
O 0.172266 -1.566024 1.912404
O -5.899708 1.603603 -1.730855
N 4.511367 -0.768615 0.526511
N 4.055589 0.635316 -1.353777
N 0.783999 -0.245182 0.063783
N 2.793669 -1.680326 1.890781
N -5.768065 0.120409 0.086564
C 2.209250 -0.257880 -0.015404
C 3.139315 -0.912830 0.817282
C 2.653794 0.542810 -1.137865
C 5.015293 0.003629 -0.557470
C 5.517418 -1.441811 1.373085
C 4.554722 1.444964 -2.487880
C -0.136304 -0.809930 0.910726
C -1.577196 -0.512317 0.623081
C -2.541344 -1.143819 1.452848
C -2.039319 0.352475 -0.405948
C -4.365425 -0.058069 0.225196
C -3.912599 -0.923573 1.259517
C -3.412082 0.584107 -0.612019
C -6.465290 0.906184 -0.840253
C -7.984827 0.859212 -0.695839
H 0.438985 0.335500 -0.720148
H 5.467897 -1.074414 2.414495
H 6.504856 -1.195390 0.956735
H 5.382979 -2.538697 1.349517
H 5.138003 0.811459 -3.175849
H 3.675743 1.863593 -2.998642
H 5.208822 2.250766 -2.116881
H 1.756925 -1.774546 2.088569
H 3.495705 -2.131602 2.470476
H -2.179823 -1.804527 2.246236
H -1.344266 0.876806 -1.072697
H -4.640110 -1.423417 1.912217
H -3.758595 1.250340 -1.403304
H -6.340875 -0.396429 0.757601
H -8.422875 0.500628 -1.643208
H -8.359928 1.884034 -0.531809
H -8.340677 0.214620 0.126668


