%chk=000110874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110874

0 1
 O   -1.620400     -0.3337000       1.779900    
 N  -1.0000000E-03  0.1528000      0.1866000    
 N   -3.580800      0.2363000     -5.6299999E-02
 C    1.116800     -0.4606000      0.8521000    
 C    1.302600      -1.933700      0.4401000    
 C    2.250000      -1.939200     -0.7720000    
 C    2.419800      0.1304000      0.4057000    
 C    3.064000     -0.7114000     -0.5103000    
 C    2.977100       1.345100      0.7711000    
 C    4.271500     -0.3521000      -1.084600    
 C   -1.290700      0.1676000      0.7073000    
 C   -2.272600      0.8538000     -0.2201000    
 C    4.201100       1.709600      0.2060000    
 C    4.843200      0.8674000     -0.7156000    
 C   -3.524500      -1.190300     -0.3835000    
 C   -4.578600      0.9080000     -0.8923000    
 C   -4.892900      -1.820500     -0.2087000    
 C   -4.684700       2.370600     -0.5055000    
 H   0.9889000     -0.3863000       1.937700    
 H   0.3615000      -2.452100      0.2282000    
 H    1.791300      -2.473200       1.264200    
 H    1.694400      -1.830900      -1.709100    
 H    2.858000      -2.847700     -0.7980000    
 H   0.1612000      0.5731000     -0.7245000    
 H    2.478800       2.001600       1.476300    
 H    4.765200     -0.9968000      -1.803800    
 H   -1.927700      0.8004000      -1.260000    
 H   -2.259500       1.902400      9.5100001E-02
 H    4.659700       2.656600      0.4775000    
 H    5.792300       1.171100      -1.148900    
 H   -3.176200      -1.355500      -1.411500    
 H   -2.845200      -1.739700      0.2751000    
 H   -4.350500      0.8174000      -1.961600    
 H   -5.578800      0.4958000     -0.7280000    
 H   -5.576400      -1.583800      -1.030000    
 H   -5.357800      -1.538400      0.7423000    
 H   -4.791200      -2.912200     -0.2043000    
 H   -3.839500       2.963900     -0.8677000    
 H   -4.774600       2.502000      0.5785000    
 H   -5.582800       2.804800     -0.9597000    


%chk=000110874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110874

0 1
O -1.545303 -0.295941 1.711136
N 0.011393 0.001934 0.011803
N -3.636115 0.269159 -0.296362
C 1.150568 -0.524082 0.798988
C 1.419964 -2.052833 0.583462
C 2.534720 -2.147328 -0.504012
C 2.457459 0.119593 0.344862
C 3.240649 -0.800093 -0.399352
C 2.899411 1.441907 0.556404
C 4.484144 -0.402436 -0.933721
C -1.267098 0.104219 0.543073
C -2.273469 0.803768 -0.398570
C 4.149163 1.839996 0.023005
C 4.935777 0.922462 -0.716791
C -3.731542 -1.152986 -0.716673
C -4.650110 1.150877 -0.926590
C -4.963354 -1.872020 -0.135015
C -4.876778 2.468578 -0.159983
H 0.896886 -0.319750 1.854182
H 0.495825 -2.591223 0.316570
H 1.794248 -2.477730 1.532756
H 2.103958 -2.282642 -1.516478
H 3.215886 -3.000000 -0.331895
H 0.184728 0.305877 -0.949232
H 2.289850 2.148696 1.131283
H 5.098555 -1.107382 -1.506083
H -1.870190 0.771034 -1.450035
H -2.289708 1.870255 -0.104784
H 4.514574 2.859973 0.186985
H 5.903680 1.241269 -1.120441
H -3.720538 -1.252460 -1.833911
H -2.829724 -1.667670 -0.338526
H -4.394029 1.375017 -1.996340
H -5.603470 0.594332 -0.944428
H -5.914991 -1.459999 -0.516553
H -4.959471 -1.777368 0.964077
H -4.938121 -2.945490 -0.399897
H -3.993847 3.133045 -0.185293
H -5.112465 2.252421 0.896155
H -5.720115 3.027622 -0.606081


