%chk=000103214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103214

0 1
 O   -3.522900       2.312200      0.1639000    
 O   -3.527000      -2.310900      0.1630000    
 O    1.914900       2.672900     -4.8000002E-03
 O    1.915000      -2.673100     -5.5000000E-03
 N   -3.937600      1.9999999E-04  0.1813000    
 N  -0.6781000       2.829500      7.5900003E-02
 N  -0.6780000      -2.830000      7.5300001E-02
 C   -1.782600      0.6924000      0.1117000    
 C   -1.782400     -0.6929000      0.1116000    
 C   0.5922000      0.7055000      3.6899999E-02
 C   0.5923000     -0.7059000      3.7099998E-02
 C  -0.6131000       1.423800      7.4600004E-02
 C  -0.6130000      -1.424300      7.4800000E-02
 C   -3.172500       1.146600      0.1543000    
 C   -3.172000      -1.146500      0.1538000    
 C    1.868700       1.449000     -3.5999999E-03
 C    1.868900      -1.449300     -2.4999999E-03
 C    3.139500      0.6979000     -4.2500000E-02
 C    3.139600     -0.6980000     -4.1800000E-02
 C   -5.386300      9.9999997E-05  0.2330000    
 C    4.352900       1.395900     -8.0200002E-02
 C    4.353200      -1.395900     -7.8400001E-02
 C   -5.991100      3.9999999E-04  -1.155700    
 C    5.559600      0.6968000     -0.1166000    
 C    5.559700     -0.6965000     -0.1157000    
 H   -5.719800     -0.8894000      0.7781000    
 H   -5.719800      0.8895000      0.7784000    
 H   0.1630000       3.388000      4.9800001E-02
 H   -1.574500       3.296500      0.1047000    
 H   0.1630000      -3.388500      5.0799999E-02
 H   -1.574500      -3.297000      0.1050000    
 H    4.382900       2.482300     -8.1699997E-02
 H    4.383500      -2.482100     -7.8500003E-02
 H   -5.678500      0.8845000      -1.721400    
 H   -5.678600     -0.8835000      -1.721700    
 H   -7.083800      5.0000002E-04  -1.097100    
 H    6.500100       1.239300     -0.1457000    
 H    6.500300      -1.238900     -0.1441000    


%chk=000103214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103214

0 1
O -3.631138 2.362654 0.189243
O -3.631336 -2.362320 0.189583
O 1.943805 2.762137 0.000378
O 1.943769 -2.762224 0.001078
N -4.009899 0.000180 0.197320
N -0.663200 2.835747 0.091235
N -0.663468 -2.835686 0.091626
C -1.796146 0.698380 0.124862
C -1.796194 -0.698220 0.124981
C 0.644074 0.721942 0.043746
C 0.644037 -0.721982 0.043920
C -0.601167 1.471359 0.086772
C -0.601271 -1.471300 0.087031
C -3.202593 1.171563 0.170370
C -3.202678 -1.171288 0.170526
C 1.916785 1.469709 -0.000431
C 1.916758 -1.469795 0.000296
C 3.192014 0.711519 -0.043763
C 3.191995 -0.711635 -0.043536
C -5.482717 0.000218 0.216055
C 4.422544 1.415563 -0.086024
C 4.422508 -1.415721 -0.085605
C -6.088435 0.000084 -1.202404
C 5.639453 0.709994 -0.127632
C 5.639435 -0.710195 -0.127423
H -5.801298 -0.897575 0.774013
H -5.801255 0.898143 0.773825
H 0.234394 3.342136 0.061223
H -1.582241 3.285280 0.124555
H 0.234013 -3.342227 0.061109
H -1.582566 -3.285097 0.124969
H 4.391413 2.509161 -0.085221
H 4.391352 -2.509318 -0.084428
H -5.776372 0.897543 -1.763575
H -5.776415 -0.897508 -1.763387
H -7.191278 0.000116 -1.138397
H 6.588274 1.255929 -0.160382
H 6.588243 -1.256164 -0.160006


