%chk=000100256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100256

0 1
 O    2.671400       1.834800     -3.7000000E-03
 O   -2.671400       1.834800      1.8000000E-03
 N    2.808000     -0.7714000     -7.9999998E-04
 N   -2.808000     -0.7714000      8.9999998E-04
 N    5.748000      -3.010200     -6.8999999E-03
 N   -5.748100      -3.010100      7.0000002E-03
 C   0.6982000      0.5220000     -6.0000003E-04
 C  -0.6982000      0.5219000      3.0000001E-04
 C    1.396400     -0.6915000     -6.0000003E-04
 C   -1.396500     -0.6916000      5.0000002E-04
 C    1.447500       1.795000     -1.3000000E-03
 C   -1.447400       1.795000      1.3000000E-03
 C   0.6983000       3.068000     -6.9999998E-04
 C  -0.6982000       3.068000      5.0000002E-04
 C   0.6967000      -1.898600     -1.9999999E-04
 C  -0.6968000      -1.898600      1.9999999E-04
 C    3.512200      -2.014200     -7.9999998E-04
 C   -3.512200      -2.014100      8.9999998E-04
 C    5.012400      -1.752200     -3.4200002E-02
 C   -5.012400      -1.752100      3.4400001E-02
 C    1.396500       4.281600     -1.0000000E-03
 C   -1.396500       4.281500      1.3000000E-03
 C   0.6968000       5.488600       0.000000    
 C  -0.6967000       5.488500      1.0000000E-03
 C    7.184700      -2.772200      3.0000001E-04
 C   -7.184700      -2.772100     -9.9999997E-05
 C    7.957600      -4.079800      2.8899999E-02
 C   -7.957700      -4.079800     -2.8600000E-02
 H    1.182800      -2.869100      1.2000001E-03
 H   -1.182800      -2.869100     -1.0000000E-03
 H    3.332500      9.4499998E-02  4.0000002E-03
 H   -3.332500      9.4499998E-02 -3.7000000E-03
 H    3.272900      -2.591300      0.9014000    
 H    3.242200      -2.611300     -0.8812000    
 H   -3.272900      -2.591300     -0.9013000    
 H   -3.242200      -2.611300      0.8813000    
 H    5.266000      -1.181400     -0.9369000    
 H    5.289600      -1.136400      0.8310000    
 H   -5.266100      -1.181400      0.9370000    
 H   -5.289600      -1.136300     -0.8309000    
 H    2.482800       4.311200     -2.0000001E-03
 H   -2.482700       4.311100      2.3000001E-03
 H    1.239000       6.429700     -1.9999999E-04
 H   -1.239000       6.429600      1.8000000E-03
 H    5.494800      -3.577000     -0.8157000    
 H   -5.494800      -3.576900      0.8158000    
 H    7.483100      -2.205900     -0.8899000    
 H    7.465400      -2.183500      0.8815000    
 H   -7.483100      -2.205800      0.8901000    
 H   -7.465400      -2.183400     -0.8813000    
 H    7.710200      -4.665700      0.9205000    
 H    7.737400      -4.689500     -0.8540000    
 H    9.034400      -3.882700      4.2500000E-02
 H   -7.737500      -4.689400      0.8542000    
 H   -9.034500      -3.882700     -4.2199999E-02
 H   -7.710300      -4.665700     -0.9202000    


%chk=000100256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100256

0 1
O 2.772635 1.740362 -0.100533
O -2.772674 1.739837 0.101131
N 2.818301 -0.828697 -0.087389
N -2.818121 -0.828674 0.087706
N 5.960337 -2.883289 -0.141083
N -5.960308 -2.883047 0.141121
C 0.723757 0.443425 -0.024126
C -0.723606 0.443359 0.024657
C 1.445946 -0.808156 -0.045515
C -1.445752 -0.808216 0.045968
C 1.469134 1.703595 -0.052276
C -1.469168 1.703383 0.052921
C 0.712070 2.977253 -0.025573
C -0.712308 2.977156 0.026001
C 0.692573 -2.036784 -0.021745
C -0.692345 -2.036819 0.022203
C 3.639508 -2.041721 -0.101964
C -3.639415 -2.041639 0.102295
C 5.133272 -1.666092 -0.046855
C -5.133145 -1.665917 0.046891
C 1.413896 4.211198 -0.051080
C -1.414308 4.211003 0.051364
C 0.709979 5.428403 -0.025740
C -0.710564 5.428305 0.025868
C 7.403935 -2.679357 0.120499
C -7.403842 -2.679056 -0.120770
C 8.177395 -4.000563 -0.025414
C -8.177419 -4.000188 0.025183
H 1.226808 -2.991189 -0.039265
H -1.226543 -2.991245 0.039658
H 3.242345 0.129710 -0.111927
H -3.242119 0.129757 0.111999
H 3.411102 -2.696349 0.762486
H 3.443442 -2.636210 -1.022477
H -3.410906 -2.696375 -0.762046
H -3.443537 -2.636030 1.022909
H 5.352747 -0.910273 -0.842778
H 5.347237 -1.177705 0.923317
H -5.352708 -0.909988 0.842685
H -5.346908 -1.177631 -0.923376
H 2.506831 4.177801 -0.090481
H -2.507238 4.177453 0.090786
H 1.255839 6.378094 -0.045602
H -1.256557 6.377922 0.045617
H 5.812182 -3.374857 -1.034777
H -5.812352 -3.374513 1.034904
H 7.856356 -1.906263 -0.550422
H 7.509673 -2.299838 1.155714
H -7.856340 -1.905833 0.549950
H -7.509351 -2.299682 -1.156061
H 7.767522 -4.762812 0.659974
H 8.107770 -4.393368 -1.058332
H 9.247850 -3.855670 0.205720
H -8.108026 -4.392848 1.058171
H -9.247819 -3.855258 -0.206182
H -7.767462 -4.762565 -0.660012


