%chk=000001583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001583

0 1
 O  -0.3332000      0.6762000     -0.1640000    
 O   3.9900001E-02  -1.084200       1.285700    
 O   -6.320600      0.6639000       1.627100    
 O   -2.413000      -1.812400      -2.637900    
 O  -0.5048000     -0.8905000      -2.065100    
 O   -6.571600     -0.7859000     -0.1054000    
 N    1.886800      1.6500000E-02  0.3490000    
 N   -1.736600      -1.057000      -1.900600    
 C    2.395300       1.316200     -6.0000003E-04
 C    2.830300      -1.069500      0.4549000    
 C   0.5068000     -0.2165000      0.5475000    
 C   -1.672900      0.4846000      7.9999998E-04
 C    3.515600       1.388900     -0.7921000    
 C    4.114500     -0.7800000      0.8410000    
 C    1.736500       2.424700      0.4722000    
 C    2.396200      -2.338200      0.1653000    
 C   -2.388300     -0.3655000     -0.8425000    
 C   -2.328000       1.155200       1.033700    
 C   -4.413500      0.1257000      0.3799000    
 C   -3.758500     -0.5449000     -0.6531000    
 C   -3.698200      0.9758000       1.223300    
 C    4.008000       2.649000      -1.131800    
 C    5.026500      -1.830400      0.9443000    
 C    2.228800       3.684900      0.1325000    
 C    3.308100      -3.388600      0.2687000    
 C    3.364600       3.797000     -0.6695000    
 C    4.623300      -3.134700      0.6582000    
 C   -5.842100     -6.0400002E-02  0.5785000    
 H    3.997300      0.5352000      -1.257700    
 H    4.455800      0.1968000       1.167800    
 H   0.8806000       2.372300       1.136700    
 H    1.392000      -2.566300     -0.1751000    
 H   -1.777200       1.819600       1.694200    
 H   -4.332800      -1.203600      -1.300600    
 H   -4.167800       1.517400       2.039600    
 H    4.879700       2.737400      -1.773800    
 H    6.044900      -1.636500       1.268300    
 H    1.733800       4.579000      0.5004000    
 H    2.996600      -4.403400      3.8899999E-02
 H    3.746400       4.778200     -0.9361000    
 H    5.332400      -3.953000      0.7417000    
 H   -7.284400      0.5311000       1.752800    


%chk=000001583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001583

0 1
O -0.300626 0.568846 0.468967
O 0.062795 -1.761139 0.518886
O -6.665552 0.878427 0.844269
O -2.062430 -1.813983 -2.636150
O -0.292767 -0.472053 -2.141573
O -6.566090 -0.442788 -1.066319
N 1.866896 -0.220779 0.399553
N -1.491251 -0.908388 -1.923511
C 2.243509 1.167693 0.155572
C 2.928831 -1.201297 0.554419
C 0.542908 -0.613958 0.436196
C -1.670427 0.425545 0.250079
C 1.921938 1.789035 -1.072622
C 4.141065 -1.011631 -0.154821
C 2.974561 1.860808 1.147371
C 2.779019 -2.317165 1.415234
C -2.273020 -0.288163 -0.829623
C -2.506590 1.087991 1.178933
C -4.497176 0.288904 0.005112
C -3.675568 -0.369860 -0.932971
C -3.903675 1.033906 1.059228
C 2.327947 3.122439 -1.299175
C 5.196803 -1.934556 -0.000638
C 3.382327 3.191358 0.909245
C 3.840973 -3.235616 1.555981
C 3.058536 3.826173 -0.313081
C 5.054229 -3.051166 0.854299
C -5.971927 0.182549 -0.157654
H 1.355329 1.234611 -1.825877
H 4.253767 -0.154240 -0.824722
H 3.219650 1.358994 2.089236
H 1.841998 -2.478482 1.952287
H -2.024793 1.629016 1.997848
H -4.124089 -0.937317 -1.753810
H -4.545288 1.546797 1.780003
H 2.078030 3.608333 -2.248535
H 6.127913 -1.782277 -0.557180
H 3.946853 3.731363 1.677091
H 3.716574 -4.097969 2.219876
H 3.374739 4.858954 -0.495875
H 5.874076 -3.768149 0.968815
H -7.642799 0.773332 0.692738


