%chk=000027699.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027699

0 1
 O    4.466300      -1.371100      3.0000001E-04
 O    4.501500      0.9537000     -1.7000000E-03
 N   -2.376600      -3.466000     -6.0000003E-04
 N    6.476100     -0.2641000      1.9999999E-04
 C   -1.840500      2.2000000E-03 -1.9999999E-04
 C   -1.131700       1.307100     -9.9999997E-05
 C   -3.325300     -3.2099999E-02   0.000000    
 C   -1.135400      -1.175900       0.000000    
 C   0.3182000      -1.226900     -5.0000002E-04
 C  -0.8132000       1.892900       1.208000    
 C   -3.992000     -4.7200002E-02  -1.207900    
 C  -0.8135000       1.893500      -1.208100    
 C   -3.991800     -4.7600001E-02   1.208200    
 C    1.015600      -1.251000      -1.208200    
 C    1.014800      -1.251300       1.207800    
 C    2.409600      -1.299700      -1.207800    
 C    2.408900      -1.299800       1.208300    
 C    3.106400      -1.324000      5.0000002E-04
 C  -0.1476000       3.118800       1.208300    
 C   -5.386500     -7.9000004E-02  -1.207900    
 C  -0.1479000       3.119300      -1.207700    
 C   -5.386300     -7.9599999E-02   1.208100    
 C   0.1850000       3.731900      5.0000002E-04
 C   -6.083600     -9.5299996E-02   0.000000    
 C   -1.834500      -2.439800       0.000000    
 C    5.104400     -0.1155000      3.9999999E-04
 C    7.399600      0.8465000      1.9999999E-04
 H   -1.066100       1.424700       2.155100    
 H   -3.460000     -3.6100000E-02  -2.155100    
 H   -1.066600       1.425800      -2.155400    
 H   -3.459700     -3.6699999E-02   2.155300    
 H   0.4879000      -1.232700      -2.158900    
 H   0.4865000      -1.233300       2.158100    
 H    2.946700      -1.318600      -2.152200    
 H    2.945500      -1.318800       2.153100    
 H   0.1122000       3.595500       2.148900    
 H   -5.929500     -9.1700003E-02  -2.148400    
 H   0.1118000       3.596600      -2.148100    
 H   -5.929300     -9.2600003E-02   2.148600    
 H   0.7038000       4.686100      6.0000003E-04
 H   -7.169500     -0.1204000      9.9999997E-05
 H    6.857100      -1.205100     -6.9999998E-04
 H    8.038400      0.7588000      0.8824000    
 H    6.872900       1.803400      1.7100001E-02
 H    8.015300      0.7778000     -0.8999000    


%chk=000027699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027699

0 1
O 4.628240 -1.345652 -0.001765
O 4.913790 1.018866 0.005288
N -2.201731 -3.573748 -0.001378
N 6.726170 -0.488078 0.001037
C -1.884174 -0.023432 -0.000293
C -1.264084 1.346060 -0.000931
C -3.387793 -0.083397 0.000235
C -1.118713 -1.165581 -0.000018
C 0.389458 -1.169523 -0.000438
C -0.985558 2.009426 1.221463
C -4.106695 -0.096169 -1.222402
C -0.990544 2.010521 -1.223857
C -4.105699 -0.095552 1.223460
C 1.105292 -1.188341 -1.223311
C 1.105859 -1.192175 1.222043
C 2.515761 -1.214917 -1.228786
C 2.516320 -1.218797 1.226793
C 3.205456 -1.230399 -0.001180
C -0.436268 3.310038 1.219878
C -5.518479 -0.127064 -1.220777
C -0.441224 3.311122 -1.223353
C -5.517486 -0.126443 1.222994
C -0.162921 3.965659 -0.002005
C -6.228464 -0.140543 0.001401
C -1.739966 -2.469013 0.000787
C 5.399524 -0.133350 0.001845
C 7.798605 0.509777 0.002673
H -1.193703 1.505144 2.172114
H -3.560883 -0.092156 -2.172687
H -1.202639 1.507122 -2.174105
H -3.559111 -0.091008 2.173296
H 0.558074 -1.184192 -2.171946
H 0.559065 -1.191050 2.170932
H 3.078945 -1.225893 -2.166647
H 3.079932 -1.232724 2.164359
H -0.217149 3.807747 2.170841
H -6.062021 -0.145594 -2.171750
H -0.226002 3.809683 -2.174763
H -6.060251 -0.144469 2.174419
H 0.266937 4.973063 -0.002425
H -7.323565 -0.166587 0.001849
H 6.943017 -1.484970 -0.002424
H 8.441243 0.404854 0.895868
H 7.334626 1.508629 0.017866
H 8.426209 0.425802 -0.903498


