%chk=000101078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101078

0 1
 O   9.9999997E-05  -2.200400     -3.0000001E-04
 O   0.1486000       3.054400      -2.044800    
 O  -0.1488000       3.054000       2.045300    
 O  -0.7374000       1.033500      -2.616700    
 O   0.7370000       1.033000       2.616900    
 N   0.8659000     -0.1317000     -0.7238000    
 N  -0.8658000     -0.1318000      0.7237000    
 C   0.5158000       1.269100     -0.5641000    
 C  -0.5157000       1.269000      0.5642000    
 C  -9.9999997E-05 -0.9759000     -9.9999997E-05
 C    1.973000     -0.6044000      -1.530600    
 C   -1.972900     -0.6047000       1.530400    
 C  -9.9699996E-02   1.736700      -1.847100    
 C   9.9500000E-02   1.736200       1.847300    
 C    3.244100     -0.7033000     -0.7377000    
 C   -3.243900     -0.7035000      0.7376000    
 C    4.098600      0.3908000     -0.6690000    
 C   -4.098500      0.3907000      0.6691000    
 C    3.554000      -1.888100     -8.0300003E-02
 C   -3.553900      -1.888100      8.0100000E-02
 C    5.279900      0.2989000      6.7299999E-02
 C   -5.279800      0.2988000     -6.7199998E-02
 C    4.735000      -1.980100      0.6561000    
 C   -4.735100      -1.980000     -0.6563000    
 C    5.598000     -0.8866000      0.7299000    
 C   -5.597900     -0.8866000     -0.7299000    
 H    1.421800       1.841600     -0.3400000    
 H   -1.421700       1.841500      0.3401000    
 H    2.099000      5.7100002E-02  -2.395400    
 H    1.714900      -1.593100      -1.929600    
 H   -2.098800      5.6600001E-02   2.395300    
 H   -1.714700      -1.593500       1.929200    
 H    3.861300       1.318800      -1.181700    
 H   -3.861200       1.318700       1.181800    
 H    2.890900      -2.747000     -0.1304000    
 H   -2.890700      -2.747100      0.1300000    
 H  -0.2461000       3.380000      -2.881700    
 H   0.2458000       3.379300       2.882400    
 H    5.951800       1.150300      0.1247000    
 H   -5.951700       1.150200     -0.1245000    
 H    4.982900      -2.903100       1.172100    
 H   -4.983000      -2.903000      -1.172300    
 H    6.517600     -0.9583000       1.303200    
 H   -6.517600     -0.9582000      -1.303200    


%chk=000101078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101078

0 1
O 0.000047 -2.874383 -0.000276
O -0.311716 2.373369 -1.891841
O 0.311390 2.373230 1.891992
O 0.164118 0.359948 -2.955821
O -0.163447 0.359311 2.955486
N 1.028252 -0.774407 -0.467905
N -1.028207 -0.774466 0.467535
C 0.598771 0.620687 -0.509667
C -0.598722 0.620621 0.509499
C 0.000042 -1.615542 -0.000202
C 2.234590 -1.287481 -1.123326
C -2.234454 -1.287636 1.123053
C 0.137614 1.050147 -1.918477
C -0.137488 1.049848 1.918352
C 3.518116 -0.695223 -0.546360
C -3.518070 -0.695355 0.546312
C 4.565326 -0.284082 -1.406391
C -4.565187 -0.284345 1.406519
C 3.694908 -0.577123 0.856238
C -3.695044 -0.577115 -0.856250
C 5.773747 0.226479 -0.877914
C -5.773694 0.226225 0.878249
C 4.899235 -0.065513 1.386502
C -4.899458 -0.065497 -1.386308
C 5.944118 0.337562 0.520853
C -5.944246 0.337448 -0.520485
H 1.387939 1.323265 -0.189549
H -1.387869 1.323264 0.189488
H 2.185205 -1.111081 -2.215389
H 2.202574 -2.383428 -0.966748
H -2.184940 -1.111351 2.215131
H -2.202432 -2.383567 0.966365
H 4.435734 -0.365321 -2.493043
H -4.435455 -0.365695 2.493146
H 2.887986 -0.896499 1.527370
H -2.888191 -0.896388 -1.527512
H -0.596115 2.655299 -2.803245
H 0.595958 2.654971 2.803402
H 6.576723 0.539133 -1.554972
H -6.576596 0.538779 1.555441
H 5.026957 0.013062 2.472209
H -5.027322 0.013187 -2.471991
H 6.879421 0.733235 0.932433
H -6.879617 0.733129 -0.931904


