%chk=000045553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045553

0 1
 O    4.003600      -2.152500      0.4198000    
 O    1.815400      -1.977000      0.4343000    
 N   -1.297000      -2.065100     -0.2998000    
 N    2.957200      -1.464100      0.3647000    
 C   -1.378900     -0.7876000      -1.056900    
 C   -2.344100      0.2432000     -0.4562000    
 C   -3.126600     -4.8400000E-02  0.6033000    
 C   -2.416600       1.596100      -1.133000    
 C   -3.145800      -1.431200       1.190600    
 C   -4.052400      0.9507000       1.250800    
 C   -2.608800      -2.474800      0.2141000    
 C   -3.642200       2.421500     -0.7392000    
 C   3.4899998E-02 -0.1845000      -1.148300    
 C   -3.848400       2.385500      0.7677000    
 C   0.5597000      0.1707000      0.2357000    
 C  -0.7395000      -3.152300      -1.112700    
 C    1.945300      0.7586000      0.1541000    
 C    3.069500     -5.3800002E-02  0.2190000    
 C    2.067400       2.135000      1.3500000E-02
 C    4.338600      0.5200000      0.1417000    
 C    3.336600       2.708800     -6.3600004E-02
 C    4.472100       1.901300      6.0000003E-04
 H   -1.741800     -0.9956000      -2.073400    
 H   -1.517700       2.172500     -0.8854000    
 H   -2.427800       1.463700      -2.221500    
 H   -2.556600      -1.434400       2.116000    
 H   -4.172700      -1.708900       1.457200    
 H   -5.086300      0.6469000       1.044000    
 H   -3.921700      0.9264000       2.339200    
 H   -2.526600      -3.427800      0.7517000    
 H   -3.322000      -2.627200     -0.6078000    
 H   -3.515100       3.455700      -1.078400    
 H   -4.533500       2.026800      -1.243200    
 H   2.4100000E-02  0.7077000      -1.788500    
 H   0.7173000     -0.8687000      -1.664500    
 H   -4.713800       2.996900       1.047100    
 H   -2.974400       2.822400       1.267500    
 H   0.4143000     -0.5634000       1.031500    
 H  -7.0799999E-02  0.9837000      0.6274000    
 H   -1.377200      -3.385100      -1.973500    
 H  -0.6365000      -4.062000     -0.5099000    
 H   0.2610000      -2.926500      -1.489100    
 H    1.193200       2.777900     -4.1900001E-02
 H    5.247600     -7.4299999E-02  0.1879000    
 H    3.440700       3.784100     -0.1746000    
 H    5.460000       2.348600     -5.9700001E-02


%chk=000045553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045553

0 1
O 4.578203 -1.987442 0.302626
O 2.481475 -2.180143 -0.558806
N -1.496893 -2.100131 -0.217284
N 3.451966 -1.474533 -0.074458
C -1.463488 -0.840833 -1.005902
C -2.394901 0.241886 -0.443256
C -3.223604 0.024618 0.619086
C -2.368683 1.580444 -1.178156
C -3.323778 -1.348825 1.259489
C -4.125549 1.102751 1.205402
C -2.845007 -2.438075 0.289106
C -3.596243 2.463078 -0.860368
C 0.004338 -0.322291 -1.133573
C -3.825607 2.518171 0.665537
C 0.670657 -0.118373 0.254437
C -0.843475 -3.234174 -0.902192
C 2.003355 0.602233 0.167245
C 3.287186 -0.005307 0.034455
C 2.004038 2.022858 0.258024
C 4.490421 0.743691 0.002587
C 3.185756 2.787933 0.203189
C 4.441623 2.145549 0.076048
H -1.804835 -1.040036 -2.062450
H -1.446186 2.145021 -0.919144
H -2.305824 1.396177 -2.271054
H -2.717193 -1.387510 2.187284
H -4.374811 -1.545970 1.556104
H -5.184164 0.835510 0.993952
H -4.034158 1.086135 2.311731
H -2.782701 -3.414437 0.804535
H -3.589881 -2.545841 -0.541958
H -3.448944 3.479493 -1.273034
H -4.496504 2.039352 -1.348999
H -0.002289 0.629049 -1.696491
H 0.608622 -1.033019 -1.722255
H -4.654789 3.206627 0.916554
H -2.913354 2.917546 1.153400
H 0.754005 -1.107685 0.732884
H -0.013330 0.487769 0.879067
H -1.306079 -3.470746 -1.893896
H -0.920446 -4.133660 -0.266161
H 0.228432 -3.031713 -1.057092
H 1.038770 2.527452 0.383983
H 5.439504 0.207283 -0.079292
H 3.131575 3.880071 0.269001
H 5.366491 2.729550 0.038391


