%chk=000075572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075572

0 1
 O    1.158500       1.709900      9.2100002E-02
 O   0.2970000     -0.9142000     -0.3513000    
 O   -2.432500       1.157200      0.1951000    
 N    4.480400      0.2809000      0.6178000    
 N    3.138600      -2.804400      0.9019000    
 N   -4.835700      -1.444500     -0.7068000    
 C  -0.1408000       1.457200     -0.4476000    
 C  -0.1036000      0.1422000      -1.217900    
 C   -1.127200       1.395900      0.7113000    
 C    2.026600       2.249900     -0.8908000    
 C   0.3008000      -2.164700      -1.024500    
 C   -3.394600       1.069800       1.236200    
 C    3.396700       2.504300     -0.2783000    
 C   0.7340000      -3.261800     -6.2300000E-02
 C   -4.771600      0.8148000      0.6394000    
 C    4.001600       1.261000      0.2221000    
 C    2.078100      -3.005200      0.4762000    
 C   -4.806300     -0.4483000     -0.1127000    
 H  -0.4460000       2.265700      -1.124700    
 H   0.5957000      0.1910000      -2.058100    
 H   -1.095200     -8.0300003E-02  -1.630100    
 H   -1.112200       2.348700       1.255100    
 H  -0.8478000      0.6115000       1.425600    
 H    2.136900       1.567500      -1.739500    
 H    1.620400       3.199800      -1.258100    
 H  -0.7064000      -2.385700      -1.396900    
 H   0.9884000      -2.118800      -1.878000    
 H   -3.122200      0.2561000       1.919900    
 H   -3.411300       2.010100       1.799500    
 H    3.298000       3.206300      0.5580000    
 H    4.054100       2.966000      -1.022700    
 H   0.7133000      -4.230400     -0.5728000    
 H   2.7100001E-02  -3.312000      0.7741000    
 H   -5.032300       1.634300     -4.0399998E-02
 H   -5.521100      0.7940000       1.437700    


%chk=000075572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075572

0 1
O 1.074642 2.149894 -0.308204
O 0.067860 -0.656999 -0.469904
O -2.500458 1.603056 0.242132
N 3.370473 1.111495 2.380801
N 3.349970 -2.286976 -0.891543
N -3.598059 -1.841697 -0.256211
C -0.284100 1.749638 -0.720970
C -0.426722 0.374886 -1.386246
C -1.088588 1.838369 0.587385
C 2.219550 1.512498 -0.964042
C -0.153031 -2.022697 -0.960873
C -3.344469 1.249408 1.377633
C 3.458829 1.939339 -0.152713
C 0.851182 -2.918465 -0.207690
C -4.519102 0.417946 0.815123
C 3.407494 1.479668 1.246956
C 2.241048 -2.588714 -0.570490
C -4.038695 -0.840016 0.217854
H -0.671323 2.496694 -1.447666
H 0.141298 0.333801 -2.341471
H -1.503315 0.225799 -1.604523
H -0.952784 2.839710 1.040106
H -0.721904 1.061159 1.285685
H 2.117937 0.412649 -0.956150
H 2.335757 1.871916 -2.008968
H -1.192848 -2.341766 -0.750285
H 0.028576 -2.079163 -2.055248
H -2.774807 0.657455 2.123657
H -3.743320 2.158430 1.874387
H 3.540601 3.042011 -0.158968
H 4.365435 1.526623 -0.634065
H 0.651148 -3.982568 -0.433455
H 0.718935 -2.773486 0.880111
H -5.040071 1.008444 0.039255
H -5.247740 0.195461 1.617098


