%chk=000131559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131559

0 1
 O   -2.218100      -3.181100      0.5034000    
 N    2.241900      0.1164000      0.6283000    
 N   -1.332000     -0.9854000      0.3572000    
 N   -3.539100      -1.289200     -7.7699997E-02
 C   0.8711000      0.1124000      0.1228000    
 C   6.7800000E-02  -1.057600      0.7373000    
 C   0.2055000       1.491200      0.3868000    
 C   -1.255100       1.458500      4.0300000E-02
 C   -1.907200      0.2466000      6.5700002E-02
 C    3.030400       1.153500     -3.6899999E-02
 C    2.861400      -1.195500      0.4395000    
 C   -3.251900      7.2800003E-02 -0.2050000    
 C   -2.335300      -1.983000      0.2903000    
 C   -2.045900       2.566100     -0.2632000    
 C    4.452000       1.176700      0.5192000    
 C    2.860700      -1.573800      -1.039500    
 C   -4.047600       1.146500     -0.5202000    
 C   -3.426800       2.407500     -0.5457000    
 C    5.287400       2.262200     -0.1418000    
 C    3.480800      -2.944800      -1.260700    
 H   0.8404000      1.5000000E-03 -0.9701000    
 H   0.4055000      -2.045600      0.4118000    
 H   0.1021000      -1.034300       1.833600    
 H   0.6574000       2.273700     -0.2318000    
 H   0.3067000       1.775600       1.441600    
 H    3.029700       1.082300      -1.130200    
 H    2.627900       2.143600      0.2015000    
 H    3.871500      -1.248400      0.8556000    
 H    2.351700      -1.962600       1.033400    
 H   -1.611100       3.561800     -0.2876000    
 H   -4.452700      -1.704200     -0.2131000    
 H    4.439300       1.337900       1.603800    
 H    4.994700      0.2480000      0.3253000    
 H    1.858100      -1.635200      -1.470000    
 H    3.440100     -0.8712000      -1.645700    
 H   -5.104000       1.039100     -0.7345000    
 H   -4.020200       3.287300     -0.7844000    
 H    5.356700       2.102000      -1.222600    
 H    4.853500       3.252100      3.1900000E-02
 H    6.302900       2.262300      0.2670000    
 H    4.518200      -2.967000     -0.9116000    
 H    2.921300      -3.719300     -0.7264000    
 H    3.477000      -3.197800      -2.325800    


%chk=000131559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131559

0 1
O -2.228303 -3.183551 0.403204
N 2.235710 0.068040 0.454240
N -1.412158 -0.920906 0.346654
N -3.595778 -1.245279 -0.041970
C 0.811257 0.126844 -0.001604
C 0.012871 -1.045826 0.659546
C 0.173209 1.516608 0.348357
C -1.324196 1.548400 0.077302
C -1.993209 0.323597 0.103705
C 3.069343 1.168183 -0.114614
C 2.870085 -1.276729 0.319724
C -3.376599 0.144430 -0.144010
C -2.385712 -1.942610 0.256231
C -2.130412 2.677525 -0.212783
C 4.528302 1.187180 0.389637
C 3.011198 -1.851565 -1.118445
C -4.176533 1.267539 -0.423987
C -3.524734 2.532012 -0.449885
C 5.238328 2.502468 -0.000687
C 3.672729 -3.246495 -1.102888
H 0.723501 -0.000530 -1.111656
H 0.345909 -2.028365 0.287628
H 0.177496 -1.016570 1.755224
H 0.658496 2.314371 -0.239450
H 0.387031 1.724890 1.416849
H 3.072338 1.155288 -1.235713
H 2.615726 2.128204 0.187504
H 3.872282 -1.218886 0.779903
H 2.310163 -1.997461 0.943069
H -1.677463 3.674754 -0.258788
H -4.473978 -1.743208 -0.165770
H 4.524563 1.072020 1.491135
H 5.100285 0.335081 -0.025075
H 2.014680 -1.920857 -1.598142
H 3.613342 -1.160571 -1.741232
H -5.250279 1.186768 -0.620216
H -4.120993 3.424689 -0.668297
H 5.230001 2.652019 -1.097211
H 4.743435 3.376806 0.462277
H 6.292733 2.497830 0.329451
H 4.679410 -3.204958 -0.644556
H 3.068743 -3.966358 -0.518649
H 3.783881 -3.653225 -2.124216


