%chk=000031486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031486

0 1
 O   -2.900100     -0.6593000      0.6341000    
 O   0.9423000      0.6936000      0.2670000    
 O   -4.961400      0.9600000     -0.2451000    
 O  -0.3652000     -0.6126000       1.639400    
 N    4.514500     -0.1902000      0.2697000    
 C    6.940700     -0.3877000     -1.6899999E-02
 C    5.677100      0.3806000     -0.4002000    
 C    8.170100      0.1817000     -0.7259000    
 C    3.300800      0.5264000     -9.5299996E-02
 C   -3.131200      -3.003100      0.1827000    
 C    2.098500     -4.5000002E-02  0.6393000    
 C   -2.795800      -1.636700     -0.3981000    
 C   -3.023600      -4.104200     -0.8683000    
 C    9.437400     -0.5550000     -0.3224000    
 C   -2.648500      0.6357000      0.2872000    
 C   -1.354200       1.148800      0.3729000    
 C   -3.692600       1.447700     -0.1562000    
 C   -3.317400      -5.472400     -0.2739000    
 C  -0.2281000      0.3032000      0.8433000    
 C   -1.103900       2.473700      1.5600000E-02
 C   -3.442200       2.772500     -0.5136000    
 C   -2.147800       3.285500     -0.4277000    
 C   -5.969500       1.856700     -0.7077000    
 H    7.089900     -0.3384000       1.069300    
 H    6.826700      -1.447300     -0.2789000    
 H    5.543200      0.3311000      -1.487600    
 H    5.795100       1.435400     -0.1233000    
 H    8.281400       1.244900     -0.4829000    
 H    8.040800      0.1088000      -1.812000    
 H    3.389400       1.594100      0.1431000    
 H    3.122600      0.4608000      -1.175900    
 H    4.647600     -0.1532000       1.280000    
 H   -4.142400      -2.980300      0.6080000    
 H   -2.457300      -3.213200       1.022900    
 H    1.957900      -1.099700      0.3730000    
 H    2.243200      3.3500001E-02   1.723900    
 H   -1.777300      -1.639800     -0.8042000    
 H   -3.493200      -1.393100      -1.208600    
 H   -2.015800      -4.110600      -1.299700    
 H   -3.725700      -3.907400      -1.686700    
 H    9.613700     -0.4717000      0.7547000    
 H    10.30310     -0.1325000     -0.8419000    
 H    9.372100      -1.617200     -0.5791000    
 H   -4.329800      -5.510600      0.1405000    
 H   -3.236000      -6.245600      -1.044200    
 H   -2.609200      -5.713300      0.5254000    
 H  -0.1093000       2.906300      8.4500000E-02
 H   -4.202400       3.461300     -0.8654000    
 H   -1.952600       4.318100     -0.7029000    
 H   -6.103000       2.701700     -2.3700001E-02
 H   -5.781600       2.178800      -1.737600    
 H   -6.914100       1.302700     -0.7158000    


%chk=000031486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031486

0 1
O -2.648941 -0.720965 0.337838
O 1.137567 0.714783 -0.493026
O -4.851307 0.904878 0.127876
O -0.143298 -1.174115 -0.956542
N 4.768534 -0.071595 -0.172476
C 7.246682 -0.235272 0.021468
C 6.016533 0.691942 0.052569
C 8.574439 0.519942 0.257069
C 3.530954 0.735398 -0.142565
C -3.251758 -3.065867 0.302587
C 2.357263 -0.130767 -0.608441
C -3.365040 -1.751644 -0.468866
C -3.960871 -4.230889 -0.426744
C 9.803248 -0.414645 0.238293
C -2.511662 0.548251 -0.225513
C -1.229251 1.008481 -0.630361
C -3.623411 1.448169 -0.275888
C -3.837910 -5.565454 0.339913
C -0.083383 0.052766 -0.703043
C -1.048653 2.363702 -1.022446
C -3.437810 2.785568 -0.693208
C -2.147112 3.238818 -1.056456
C -6.004441 1.807321 0.177221
H 7.134306 -1.022188 0.798240
H 7.274065 -0.757137 -0.954818
H 6.104484 1.447329 -0.754032
H 6.007786 1.257321 1.020055
H 8.527803 1.051343 1.229636
H 8.692045 1.302358 -0.520203
H 3.293030 1.166146 0.860065
H 3.655527 1.586887 -0.837571
H 4.709053 -0.877875 0.466536
H -3.689009 -2.930073 1.310939
H -2.179274 -3.299896 0.439872
H 2.484332 -0.455895 -1.655631
H 2.226503 -1.031427 0.020959
H -2.865083 -1.825523 -1.454396
H -4.418818 -1.437600 -0.598811
H -3.528803 -4.347399 -1.441542
H -5.032958 -3.983062 -0.568532
H 9.727127 -1.184825 1.028977
H 10.741272 0.146819 0.402429
H 9.887554 -0.938575 -0.732341
H -4.284879 -5.485179 1.348771
H -4.349821 -6.387357 -0.193740
H -2.776827 -5.851159 0.465631
H -0.048681 2.702113 -1.304509
H -4.282153 3.480851 -0.726379
H -2.010004 4.279272 -1.368718
H -5.824938 2.648467 0.874419
H -6.252359 2.202302 -0.827411
H -6.834751 1.188654 0.547648


