%chk=000001921.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001921

0 1
 O   -3.451000      0.5515000      4.8500001E-02
 O   0.1415000       3.583000      0.9321000    
 O    4.061700     -0.9122000      0.5096000    
 N   -1.277200     -0.1253000     -0.3766000    
 N    1.890400       1.350600     -4.4000000E-03
 N    1.106300     -0.6183000     -0.6866000    
 C   -1.784200       2.228900      0.4108000    
 C   -1.686500      -1.449900     -0.8311000    
 C   7.1000002E-02  0.2101000     -0.3349000    
 C   0.5299000       1.429500      8.7300003E-02
 C   -2.241500      0.8089000      1.7800000E-02
 C  -0.2910000       2.510100      0.5207000    
 C   -1.699400      -2.474500      0.2985000    
 C   -2.400400       3.230300     -0.5661000    
 C    2.189200      0.1002000     -0.4774000    
 C   -2.101800      -3.871500     -0.1794000    
 C    3.584600     -0.3216000     -0.6992000    
 C   -2.047600      -4.883200      0.9548000    
 C    5.405900      -1.346400      0.3757000    
 H   -2.194900       2.402800       1.414700    
 H   -2.690700      -1.380500      -1.266400    
 H   -1.019600      -1.772000      -1.640000    
 H   -2.388500      -2.143800       1.085900    
 H  -0.7048000      -2.522300      0.7596000    
 H    2.551800       2.079000      0.2309000    
 H   -2.168400       4.261600     -0.2792000    
 H   -2.017300       3.072900      -1.580900    
 H   -3.490500       3.131000     -0.6038000    
 H   -1.430400      -4.196800     -0.9826000    
 H   -3.116100      -3.843900     -0.5939000    
 H    3.626100      -1.058800      -1.509300    
 H    4.214900      0.5333000     -0.9708000    
 H   -2.728700      -4.601500       1.764200    
 H   -2.340700      -5.873800      0.5931000    
 H   -1.036100      -4.957600       1.366600    
 H    6.062900     -0.5002000      0.1526000    
 H    5.488800      -2.104800     -0.4088000    
 H    5.720700      -1.790700       1.323800    


%chk=000001921-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001921

0 1
O -3.455014 0.543198 -0.007770
O 0.289191 3.349623 1.367994
O 4.538408 0.230382 0.104199
N -1.286703 -0.202233 -0.402488
N 2.002118 0.999232 0.311292
N 1.083485 -0.873077 -0.592821
C -1.682386 2.142039 0.515495
C -1.774603 -1.509270 -0.914270
C 0.080349 0.023867 -0.243774
C 0.613495 1.203646 0.320882
C -2.211686 0.771732 0.034633
C -0.172649 2.308391 0.798055
C -1.938056 -2.560532 0.204874
C -2.119488 3.226907 -0.521729
C 2.237095 -0.236314 -0.239815
C -2.456760 -3.906521 -0.349691
C 3.621848 -0.783362 -0.416845
C -2.633476 -4.969777 0.755574
C 5.941432 -0.170868 -0.000484
H -2.221243 2.361683 1.456741
H -2.747879 -1.320604 -1.398601
H -1.047965 -1.862053 -1.666525
H -2.646145 -2.174429 0.962991
H -0.962833 -2.717232 0.705593
H 2.725136 1.639217 0.643353
H -1.834148 4.221865 -0.141836
H -1.626408 3.066727 -1.497432
H -3.211925 3.183149 -0.663789
H -1.751916 -4.284087 -1.118435
H -3.425752 -3.742291 -0.863384
H 3.726544 -1.742264 0.135358
H 3.818033 -0.986708 -1.491992
H -3.354084 -4.627059 1.521427
H -3.007603 -5.924055 0.341683
H -1.673425 -5.174882 1.265388
H 6.234711 -0.336260 -1.057666
H 6.140010 -1.094066 0.581896
H 6.528697 0.660384 0.417718


