%chk=000037265.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037265

0 1
 O    1.736400       3.402800      0.1723000    
 O    3.249200      -2.747800      0.9672000    
 O    4.320400      -2.376500     -0.8935000    
 N    2.140500       1.268600     -0.1271000    
 N    2.509000       2.477000      0.4415000    
 N    4.136500      0.3566000      0.8616000    
 N    2.615600      -1.053900     -0.3351000    
 N    3.434300      -2.095300     -7.1699999E-02
 C   -2.752100      0.2524000      0.1858000    
 C   -1.552000      0.5252000     -0.7270000    
 C   -4.076900     -5.0600000E-02 -0.5209000    
 C  -0.2411000      0.7371000      3.7400000E-02
 C   -5.220600     -0.3769000      0.4413000    
 C   0.9289000       1.071000     -0.8855000    
 C   -6.536400     -0.5799000     -0.3112000    
 C   -7.670600     -0.9367000      0.6363000    
 C    2.979100      0.1268000      0.1286000    
 H   -2.506100     -0.5964000      0.8368000    
 H   -2.894600       1.116300      0.8473000    
 H   -1.430300     -0.3160000      -1.420500    
 H   -1.766000       1.411000      -1.337500    
 H   -3.931900     -0.8935000      -1.207700    
 H   -4.352100      0.8148000      -1.136500    
 H  -0.3790000       1.545700      0.7661000    
 H  -1.3300000E-02 -0.1658000      0.6176000    
 H   -5.335300      0.4388000       1.165300    
 H   -4.972800      -1.281400       1.009700    
 H    1.048600      0.2829000      -1.639400    
 H   0.6878000       1.968800      -1.470000    
 H   -6.797600      0.3334000     -0.8583000    
 H   -6.422300      -1.380500      -1.051400    
 H   -7.454800      -1.865100       1.174600    
 H   -7.831700     -0.1422000       1.371900    
 H   -8.601400      -1.076500      7.7699997E-02
 H    4.779000     -0.3954000       1.086700    
 H    4.406700       1.276300       1.190400    


%chk=000037265-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037265

0 1
O 1.833309 3.473777 0.128078
O 4.618191 -2.082339 0.582570
O 2.991044 -3.255157 -0.503445
N 2.207739 1.257305 -0.119418
N 2.636213 2.518500 0.365758
N 4.240605 0.491162 0.834947
N 2.650425 -1.007448 -0.284122
N 3.465610 -2.161161 -0.053073
C -2.749480 0.152798 0.251223
C -1.564171 0.533084 -0.664237
C -4.078986 -0.018219 -0.517758
C -0.239845 0.690995 0.115902
C -5.266844 -0.394330 0.396032
C 0.920101 1.071171 -0.832810
C -6.596662 -0.571153 -0.372066
C -7.779194 -0.942869 0.548264
C 3.100002 0.189587 0.168831
H -2.511879 -0.790180 0.785678
H -2.875442 0.931450 1.032108
H -1.440147 -0.245472 -1.444946
H -1.799861 1.479241 -1.194379
H -3.953987 -0.799704 -1.296208
H -4.315430 0.923029 -1.057004
H -0.355763 1.469852 0.894412
H 0.009045 -0.260429 0.622660
H -5.395799 0.388115 1.173194
H -5.030942 -1.333982 0.938133
H 1.071548 0.282288 -1.585775
H 0.706318 2.033423 -1.332246
H -6.830156 0.366765 -0.916437
H -6.468199 -1.355252 -1.146066
H -7.582064 -1.891148 1.083207
H -7.950853 -0.158798 1.309973
H -8.716158 -1.067231 -0.025208
H 4.865153 -0.302512 1.033508
H 4.419660 1.459942 1.103522


