%chk=000135470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135470

0 1
 O    2.671700      -1.210500     -3.8000001E-03
 O   -2.671400      -1.211200      2.4000001E-03
 O    2.758300      -3.760700     -4.6999999E-03
 O   -2.757400      -3.761300      5.7999999E-03
 N    2.807800       1.372900     -3.5000001E-03
 N   -2.808000       1.372600      2.3000001E-03
 N    5.740000       3.621600      3.0000001E-04
 N   -5.740600       3.620800      3.0000000E-03
 C   0.6982000      7.4800000E-02 -1.9000000E-03
 C  -0.6983000      7.4600004E-02 -8.9999998E-04
 C    1.396300       1.288300     -2.9000000E-03
 C   -1.396700       1.288100     -5.0000002E-04
 C   0.6985000      -2.471400     -8.9999998E-04
 C  -0.6980000      -2.471500      6.0000003E-04
 C    1.447600      -1.198200     -2.0000001E-03
 C   -1.447400      -1.198600      3.9999999E-04
 C   0.6963000       2.495300     -2.7999999E-03
 C  -0.6970000       2.495200     -1.6000000E-03
 C    3.507600       2.618000     -4.1999999E-03
 C   -3.508100       2.617600      3.8999999E-03
 C    1.396900      -3.684800     -1.2000001E-03
 C   -1.396100      -3.685100      2.4000001E-03
 C    5.008800       2.361000      2.8300000E-02
 C   -5.009200       2.360400     -2.6200000E-02
 C   0.6972000      -4.891800      3.0000001E-04
 C  -0.6962000      -4.892000      2.0999999E-03
 C    7.177500       3.388500     -7.8999996E-03
 C   -7.178100       3.387600      1.3200000E-02
 H    1.181200       3.466300     -4.9999999E-03
 H   -1.182100       3.466200      1.9999999E-04
 H    3.335500      0.5090000     -9.1000004E-03
 H   -3.335700      0.5087000      6.0000001E-03
 H    3.266100       3.194200     -0.9064000    
 H    3.236700       3.214300      0.8764000    
 H   -3.265300       3.193900      0.9058000    
 H   -3.238600       3.213900     -0.8771000    
 H    5.265900       1.791100      0.9304000    
 H    5.288100       1.746600     -0.8373000    
 H   -5.287100       1.746000      0.8397000    
 H   -5.267500       1.790500     -0.9281000    
 H    1.232300      -5.837900     -3.0000001E-04
 H   -1.221800      -5.843500      3.5000001E-03
 H    5.491800       4.180400      0.8163000    
 H   -5.493600       4.179800     -0.8132000    
 H    3.152900      -2.876100     -8.6000003E-03
 H   -3.033200      -4.693700      6.6999998E-03
 H    7.503100       2.852800      0.8897000    
 H    7.701800       4.348800     -3.5000000E-02
 H    7.482900       2.822500     -0.8940000    
 H   -7.504900       2.852000     -0.8841000    
 H   -7.702500       4.347800      4.1200001E-02
 H   -7.482200       2.821400      0.8996000    


%chk=000135470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135470

0 1
O 2.750308 -1.152850 0.099290
O -2.794685 -1.122113 -0.107671
O 2.821566 -3.617119 0.106822
O -2.793921 -3.766082 -0.099142
N 2.809748 1.406290 0.087519
N -2.829132 1.424176 -0.093997
N 5.946472 3.464705 0.163990
N -5.946291 3.511873 -0.158089
C 0.704338 0.140204 0.021839
C -0.739522 0.134645 -0.027902
C 1.437157 1.388690 0.043956
C -1.456462 1.389155 -0.050285
C 0.690658 -2.387087 0.026167
C -0.749052 -2.410757 -0.027162
C 1.416738 -1.119970 0.050180
C -1.495289 -1.130955 -0.056011
C 0.688092 2.616593 0.019605
C -0.697283 2.614541 -0.025986
C 3.630521 2.619488 0.106258
C -3.637041 2.645126 -0.109627
C 1.448438 -3.610515 0.056463
C -1.397473 -3.681312 -0.048494
C 5.125207 2.247146 0.056690
C -5.134847 2.286060 -0.057021
C 0.769321 -4.853442 0.033818
C -0.628872 -4.879148 -0.017953
C 7.385663 3.269806 -0.094829
C -7.387142 3.325227 0.097456
H 1.222061 3.570819 0.037491
H -1.230509 3.569446 -0.044309
H 3.237224 0.453847 0.114042
H -3.256528 0.465911 -0.119941
H 3.403943 3.274369 -0.758235
H 3.429041 3.212261 1.026740
H -3.404467 3.298357 0.755076
H -3.434115 3.238218 -1.030181
H 5.343094 1.486670 0.849718
H 5.346621 1.765903 -0.915529
H -5.357144 1.803070 0.913934
H -5.361578 1.530490 -0.851430
H 1.360757 -5.772402 0.057282
H -1.148384 -5.846954 -0.035392
H 5.776735 3.962586 1.047899
H -5.773054 4.010344 -1.041167
H 3.104242 -2.603647 0.114066
H -3.065282 -4.721127 -0.104483
H 7.874599 2.511815 0.564063
H 7.916617 4.229407 0.032506
H 7.531527 2.945198 -1.141568
H -7.880064 2.573281 -0.565608
H -7.912000 4.288851 -0.025877
H -7.536552 2.996110 1.142321


