%chk=000036123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036123

1 1
 O   -4.499100       1.304200      0.9726000    
 O    4.984100      -1.922900      0.5361000    
 O   -5.952800     -0.8056000     -3.2200001E-02
 O    5.820400     -1.2100000E-02  -1.298500    
 N  -0.1785000       1.439400      0.6138000    
 C   0.4908000      4.5100000E-02  0.6606000    
 C  -3.0700000E-02   2.029900     -0.7936000    
 C   -1.668100       1.330300       1.011400    
 C  -0.2924000     -0.9831000     -0.1913000    
 C    1.924600      6.2300000E-02  0.1666000    
 C    1.439000       2.153000      -1.203000    
 C   0.4635000       2.382900       1.652700    
 C   -2.442700      0.1954000      0.4139000    
 C    2.344000       1.027600     -0.7666000    
 C   -1.790000     -0.9283000     -9.9399999E-02
 C    2.823500     -0.9263000      0.5943000    
 C   -3.845100      0.2283000      0.4433000    
 C    3.661600      0.9896000      -1.246400    
 C   -2.549500      -1.993500     -0.6082000    
 C    4.128600     -0.9543000      0.1057000    
 C    4.546800      1.9000000E-03 -0.8154000    
 C   -4.591400     -0.8376000     -5.6800000E-02
 C   -3.942900      -1.949400     -0.5843000    
 C    5.765300      -1.630400       1.693100    
 C   -6.608900     -0.2460000      -1.168300    
 H   0.4597000     -0.2517000       1.717600    
 H  -0.5202000       3.010800     -0.8028000    
 H  -0.5709000       1.378000      -1.487800    
 H   -2.119500       2.296700      0.7571000    
 H   -1.694000       1.207800       2.101700    
 H   3.7500001E-02  -1.989400      0.1027000    
 H  -3.0400001E-02 -0.8773000      -1.253400    
 H    1.843500       3.087000     -0.7921000    
 H    1.481900       2.248500      -2.295100    
 H  -3.9999999E-02   3.351900       1.586700    
 H   0.3270000       1.945300       2.646400    
 H    1.529900       2.494900       1.449500    
 H    2.499300      -1.682000       1.306400    
 H    3.993900       1.744900      -1.955600    
 H   -2.054700      -2.864700      -1.031000    
 H   -4.513700      -2.785200     -0.9795000    
 H   -5.455700       1.129800      0.9526000    
 H    5.931000      0.7247000      -1.923700    
 H    6.405600     -0.7604000       1.516400    
 H    6.400600      -2.494800       1.905100    
 H    5.117900      -1.451400       2.557300    
 H   -6.406400     -0.8479000      -2.059900    
 H   -6.288600      0.7876000      -1.333300    
 H   -7.685900     -0.2523000     -0.9795000    


%chk=000036123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036123

1 1
O -4.462663 1.691584 0.778868
O 4.837479 -1.926162 1.116637
O -6.027879 -0.077953 -0.466543
O 5.911317 -0.055576 -0.875999
N -0.215686 1.497503 0.730755
C 0.400853 0.062549 0.751486
C -0.033357 2.091346 -0.677232
C -1.706126 1.429557 1.101685
C -0.344656 -0.884452 -0.225611
C 1.876306 0.136983 0.394880
C 1.454005 2.217000 -1.063497
C 0.468446 2.376021 1.772819
C -2.475721 0.399195 0.310284
C 2.343591 1.086462 -0.550164
C -1.858226 -0.745970 -0.256130
C 2.761248 -0.822421 0.928613
C -3.870245 0.564688 0.206312
C 3.699183 1.026003 -0.945236
C -2.656547 -1.704750 -0.917632
C 4.117300 -0.894574 0.533514
C 4.581950 0.044678 -0.443679
C -4.666838 -0.406362 -0.461260
C -4.058689 -1.546753 -1.020560
C 6.319719 -1.919646 1.176952
C -6.965628 -1.010194 -1.112509
H 0.252074 -0.282603 1.792051
H -0.531517 3.075853 -0.676111
H -0.587000 1.431015 -1.361796
H -2.135069 2.436655 0.961356
H -1.741932 1.204306 2.184621
H -0.053586 -1.911520 0.063469
H 0.072263 -0.742881 -1.242108
H 1.850686 3.185529 -0.699731
H 1.499705 2.273688 -2.167642
H 0.005481 3.375022 1.748957
H 0.323745 1.922050 2.765299
H 1.542445 2.443042 1.558857
H 2.425588 -1.557885 1.667888
H 4.079445 1.755368 -1.674092
H -2.185130 -2.588345 -1.361109
H -4.655337 -2.308070 -1.530675
H -5.443608 1.659797 0.614572
H 6.124314 0.624973 -1.561876
H 6.754621 -2.069924 0.178104
H 6.559394 -2.762867 1.840860
H 6.688851 -0.973522 1.608309
H -6.938597 -1.996271 -0.613674
H -6.730530 -1.116595 -2.187440
H -7.957541 -0.554374 -0.988942


