%chk=000098002.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098002

0 1
 O   -1.174300      -1.696700      0.3863000    
 O    5.303100       1.604800      0.2762000    
 O    5.752900     -0.5377000      6.3900001E-02
 N    4.939800      0.4163000      0.1081000    
 C  -0.6205000     -0.6936000     -0.4748000    
 C   -1.564500     -0.3444000      0.6317000    
 C   0.8231000     -0.4055000     -0.3234000    
 C   -2.976300      9.3999999E-03  0.3118000    
 C    1.266300      0.9088000     -0.1338000    
 C    1.760700      -1.444300     -0.3682000    
 C   -3.323800       1.337600      6.5099999E-02
 C   -3.950800     -0.9875000      0.2612000    
 C    2.627000       1.180500      8.7000001E-03
 C    3.121400      -1.172800     -0.2255000    
 C    3.554600      0.1397000     -3.7000000E-02
 C   -4.645800       1.669000     -0.2319000    
 C   -5.272700     -0.6559000     -3.5999998E-02
 C   -5.620200      0.6723000     -0.2825000    
 H   -1.008400     -0.6721000      -1.489300    
 H   -1.153500      0.1050000       1.531400    
 H   0.5546000       1.730000     -9.8899998E-02
 H    1.437000      -2.471600     -0.5171000    
 H   -2.571900       2.121500      0.1021000    
 H   -3.705400      -2.027700      0.4565000    
 H    2.927500       2.215100      0.1533000    
 H    3.814900      -2.008900     -0.2672000    
 H   -4.916400       2.703200     -0.4238000    
 H   -6.032000      -1.431600     -7.3899999E-02
 H   -6.649500      0.9304000     -0.5135000    


%chk=000098002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098002

0 1
O -1.179318 -1.850101 0.037863
O 5.585495 1.290023 -0.695202
O 5.652485 -0.207050 1.025183
N 5.027836 0.428089 0.089501
C -0.613411 -0.616640 -0.615120
C -1.594080 -0.486997 0.541908
C 0.846660 -0.368856 -0.439744
C -3.014526 -0.078354 0.337516
C 1.510058 0.563433 -1.281210
C 1.580844 -1.045694 0.570352
C -3.567042 0.952681 1.139678
C -3.818659 -0.697241 -0.654003
C 2.880419 0.833976 -1.112596
C 2.952085 -0.790133 0.748938
C 3.582754 0.152726 -0.093851
C -4.900758 1.372531 0.941962
C -5.152776 -0.280441 -0.845916
C -5.696228 0.758776 -0.053209
H -1.024448 -0.420028 -1.615227
H -1.150560 -0.233770 1.515671
H 0.950116 1.079785 -2.069259
H 1.067548 -1.792947 1.184289
H -2.954399 1.426007 1.917139
H -3.400708 -1.524889 -1.238106
H 3.411596 1.548631 -1.746509
H 3.541067 -1.302320 1.514128
H -5.319963 2.170180 1.564944
H -5.772469 -0.768354 -1.606310
H -6.732718 1.080278 -0.203310


