%chk=000044942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044942

0 1
 O    4.546300     -5.5399999E-02 -0.3522000    
 O   -4.550300     -5.3599998E-02 -0.3522000    
 O    3.403000       1.386300       1.022400    
 O   -3.403200       1.389000       1.018300    
 N    2.500500     -0.6514000      0.3741000    
 N   -2.504100     -0.6503000      0.3705000    
 C   1.4000000E-03 -0.6176000      0.1406000    
 C   1.2700000E-02  0.5717000     -0.8759000    
 C   1.3000000E-03  -1.931100     -0.7092000    
 C    1.245700     -0.5584000       1.069900    
 C   -1.247500     -0.5574000       1.063900    
 C   1.4700000E-02   1.973200     -0.2766000    
 C  -9.1000004E-03  -3.240900      7.0400000E-02
 C    3.476500      0.3278000      0.4069000    
 C   -3.478800      0.3297000      0.4043000    
 C    5.636800      0.8711000     -0.4070000    
 C   -5.640200      0.8738000     -0.4063000    
 C    6.729300      0.2955000      -1.282700    
 C   -6.734800      0.2980000      -1.279100    
 H   0.8889000      0.4841000      -1.531200    
 H  -0.8595000      0.4912000      -1.537600    
 H  -0.8662000      -1.932600      -1.381700    
 H   0.8754000      -1.940400      -1.372800    
 H    1.230700      0.3537000       1.676900    
 H    1.230500      -1.389500       1.784000    
 H   -1.232500      0.3558000       1.669400    
 H   -1.233500      -1.386300       1.780600    
 H   0.8986000       2.156000      0.3379000    
 H  -0.8738000       2.160000      0.3302000    
 H   1.9900000E-02   2.715900      -1.081700    
 H   0.8741000      -3.343400      0.7062000    
 H  -5.9000002E-03  -4.084100     -0.6288000    
 H  -0.9033000      -3.338400      0.6915000    
 H    2.708700      -1.504400     -0.1355000    
 H   -2.713100      -1.503400     -0.1388000    
 H    5.287500       1.821000     -0.8269000    
 H    6.023300       1.039900      0.6042000    
 H   -6.024600       1.044300      0.6055000    
 H   -5.290900       1.822800     -0.8281000    
 H    6.352500      0.1038000      -2.292900    
 H    7.075900     -0.6642000     -0.8855000    
 H    7.580200      0.9794000      -1.346900    
 H   -7.081700     -0.6609000     -0.8801000    
 H   -6.360100      0.1048000      -2.289800    
 H   -7.585200      0.9826000      -1.342600    


%chk=000044942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044942

0 1
O 4.584448 -0.082452 -0.347873
O -4.583564 -0.076890 -0.349262
O 3.324106 1.446557 0.936138
O -3.321820 1.450607 0.935168
N 2.535232 -0.709828 0.406701
N -2.534880 -0.706315 0.405058
C 0.000263 -0.653010 0.149873
C 0.001422 0.553012 -0.841688
C -0.000423 -1.963059 -0.705626
C 1.243969 -0.609154 1.095068
C -1.243942 -0.607348 1.094279
C 0.001901 1.970375 -0.223573
C -0.001686 -3.306340 0.061313
C 3.450813 0.319009 0.389774
C -3.449202 0.323638 0.387770
C 5.669487 0.934081 -0.434978
C -5.667968 0.940400 -0.435459
C 6.759239 0.336378 -1.319920
C -6.758626 0.343683 -1.319951
H 0.888558 0.445674 -1.498846
H -0.885219 0.446675 -1.499674
H -0.878371 -1.930851 -1.382632
H 0.878034 -1.932134 -1.382030
H 1.257625 0.342224 1.653898
H 1.167613 -1.425770 1.841458
H -1.256656 0.344107 1.653003
H -1.169160 -1.424003 1.840788
H 0.902097 2.151825 0.390149
H -0.898626 2.152751 0.389392
H 0.002634 2.725417 -1.031713
H 0.888142 -3.422325 0.707559
H -0.002030 -4.152631 -0.649764
H -0.892170 -3.421040 0.706884
H 2.800051 -1.575134 -0.064436
H -2.800504 -1.571247 -0.066314
H 5.248465 1.865111 -0.855992
H 6.030782 1.152996 0.586533
H -6.028550 1.159276 0.586313
H -5.246543 1.871258 -0.856447
H 6.369759 0.115302 -2.328558
H 7.153045 -0.598540 -0.885303
H 7.594996 1.052989 -1.418940
H -7.152835 -0.591079 -0.885361
H -6.369861 0.122607 -2.328864
H -7.593946 1.060894 -1.418317


