%chk=000100495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100495

0 1
 O  -0.5711000      4.0199999E-02  6.7299999E-02
 O   0.4722000      -1.915700      0.6521000    
 N    2.937200      -2.085700     -0.5186000    
 C   -4.320600     -0.1985000      4.1999999E-02
 C   -2.930100      0.4188000     -9.0599999E-02
 C   -5.412800      0.8092000     -0.3152000    
 C   -1.834700     -0.5904000      0.2227000    
 C   -6.797300      0.1883000     -0.2171000    
 C    1.801100     -2.4800001E-02  0.1349000    
 C   0.5337000     -0.7380000      0.3143000    
 C    2.951100     -0.6953000     -0.2684000    
 C    1.829500       1.344600      0.3783000    
 C    4.142800      1.1500000E-02 -0.4304000    
 C    3.021200       2.051200      0.2164000    
 C    4.177800       1.384700     -0.1879000    
 H   -4.469200     -0.5556000       1.068300    
 H   -4.398400      -1.071200     -0.6179000    
 H   -2.832300       1.282800      0.5786000    
 H   -2.782700      0.8082000      -1.105800    
 H   -5.356300       1.673200      0.3570000    
 H   -5.258600       1.180600      -1.335000    
 H   -1.902800      -1.443000     -0.4632000    
 H   -1.939600     -0.9493000       1.253300    
 H   -6.897000     -0.6587000     -0.9034000    
 H   -6.996600     -0.1670000      0.7990000    
 H   -7.562900      0.9266000     -0.4753000    
 H   0.9476000       1.888400      0.7058000    
 H    5.051600     -0.4954000     -0.7448000    
 H    3.049600       3.119900      0.4079000    
 H    5.105800       1.934900     -0.3132000    
 H    2.085300      -2.621000     -0.4248000    
 H    3.786200      -2.549900     -0.8136000    


%chk=000100495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100495

0 1
O -0.570398 0.039316 -0.049666
O 0.449101 -2.050101 -0.050216
N 3.128071 -2.125885 -0.086787
C -4.387821 -0.204419 -0.026753
C -2.969628 0.412433 -0.056376
C -5.505389 0.862137 -0.074311
C -1.885087 -0.664346 -0.030926
C -6.921442 0.248333 -0.038397
C 1.827016 -0.032883 -0.072076
C 0.560084 -0.781597 -0.056199
C 3.083440 -0.746516 -0.086793
C 1.831715 1.392177 -0.073224
C 4.295203 0.016042 -0.102425
C 3.029804 2.121246 -0.087923
C 4.266073 1.417285 -0.103101
H -4.508609 -0.817543 0.890639
H -4.510791 -0.898581 -0.884321
H -2.834631 1.086581 0.811432
H -2.847067 1.030234 -0.967001
H -5.380888 1.559017 0.779420
H -5.387741 1.471741 -0.993180
H -1.939073 -1.334211 -0.909372
H -1.936170 -1.290009 0.879824
H -7.084205 -0.426075 -0.900252
H -7.074174 -0.343712 0.883734
H -7.701719 1.030686 -0.070154
H 0.866312 1.905785 -0.061539
H 5.254359 -0.516025 -0.113854
H 3.015229 3.215379 -0.088460
H 5.210592 1.973758 -0.114569
H 2.236340 -2.635616 -0.075691
H 4.021193 -2.611034 -0.098783


