%chk=000064181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064181

0 1
 O   -6.672400     -0.5096000      0.1294000    
 N  -0.2834000      0.2129000     -0.5446000    
 N   -3.072000      0.3309000      0.2092000    
 C    1.140100      6.6000000E-02 -0.2473000    
 C    3.395700       1.202100     -0.3546000    
 C    2.853600     -0.3380000       1.566700    
 C    3.220300      -1.283300     -0.7420000    
 C    1.892800       1.351700     -0.6542000    
 C    1.352400     -0.1843000       1.261900    
 C    1.718100      -1.127400      -1.041000    
 C    3.589000      0.9472000       1.149900    
 C    3.953300      7.1999999E-03  -1.146600    
 C    3.414100      -1.524900      0.7647000    
 C   -1.022700     -0.9976000     -0.1665000    
 C  -0.8399000       1.387700      0.1376000    
 C   -2.516300     -0.8439000     -0.4737000    
 C   -2.333200       1.541200     -0.1708000    
 C   -4.495900      0.4776000     -8.6000003E-02
 C   -5.293600     -0.7154000      0.4080000    
 H    3.924500       2.116600     -0.6459000    
 H    2.999100     -0.5153000       2.638400    
 H    3.624900      -2.130100      -1.307800    
 H    1.565500       2.234800     -9.6000001E-02
 H    1.747000       1.566800      -1.720800    
 H   0.8736000      -1.102300       1.616300    
 H   0.9865000      0.6349000       1.888500    
 H    1.567900     -0.9843000      -2.119100    
 H    1.254900      -2.082800     -0.7745000    
 H    4.658000      0.8575000       1.379500    
 H    3.210700       1.799900       1.727000    
 H    3.835300      0.1833000      -2.222800    
 H    5.028700     -9.8200001E-02 -0.9572000    
 H    4.480000      -1.656600      0.9879000    
 H    2.910000      -2.451900       1.064300    
 H  -0.9490000      -1.241000      0.8979000    
 H  -0.7036000      -1.872000     -0.7394000    
 H  -0.3905000       2.319800     -0.2144000    
 H  -0.7413000       1.350200       1.226900    
 H   -2.667800     -0.7770000      -1.559700    
 H   -2.988400      -1.769200     -0.1298000    
 H   -2.716400       2.401500      0.3919000    
 H   -2.469500       1.763200      -1.238200    
 H   -4.674700      0.6237000      -1.159900    
 H   -4.889600       1.376400      0.4066000    
 H   -5.176200     -0.8484000       1.488800    
 H   -5.021600      -1.645500     -9.6299998E-02
 H   -7.152400      -1.282800      0.4720000    


%chk=000064181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064181

0 1
O -6.904032 -0.308117 -0.107658
N -0.305919 0.144978 -0.290070
N -3.206031 0.228904 0.067889
C 1.184733 0.023960 -0.068831
C 3.420868 1.229390 -0.451976
C 3.132372 -0.273371 1.571706
C 3.291157 -1.271072 -0.751609
C 1.878418 1.316648 -0.601105
C 1.586898 -0.177655 1.430912
C 1.747319 -1.176790 -0.888036
C 3.782274 1.035539 1.045925
C 3.952412 0.028833 -1.275556
C 3.657226 -1.476916 0.743623
C -1.106005 -1.098025 -0.142587
C -0.975521 1.232629 0.471070
C -2.538189 -0.875197 -0.662648
C -2.399843 1.467192 -0.061353
C -4.622304 0.413940 -0.327454
C -5.541817 -0.589483 0.381611
H 3.873015 2.169681 -0.825420
H 3.394337 -0.414396 2.639662
H 3.648756 -2.136950 -1.343760
H 1.523159 2.205083 -0.044527
H 1.591194 1.456622 -1.661339
H 1.113666 -1.098993 1.826737
H 1.212836 0.670412 2.037810
H 1.451295 -1.058526 -1.949374
H 1.315905 -2.129580 -0.525411
H 4.883089 0.989201 1.168919
H 3.422948 1.901704 1.637899
H 3.716161 0.170480 -2.349408
H 5.055265 -0.040485 -1.187076
H 4.756022 -1.568198 0.858088
H 3.209082 -2.419741 1.117731
H -1.166758 -1.441444 0.920691
H -0.655104 -1.905990 -0.740497
H -0.404565 2.169943 0.364803
H -1.053640 0.995218 1.560560
H -2.486529 -0.657978 -1.760385
H -3.117693 -1.807156 -0.526767
H -2.884195 2.267374 0.529552
H -2.332265 1.808969 -1.125217
H -4.774204 0.326720 -1.430664
H -4.943135 1.430874 -0.036087
H -5.463584 -0.444446 1.478349
H -5.247261 -1.632840 0.140438
H -7.546215 -0.909645 0.345140


