%chk=000120935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120935

0 1
 O   -1.095400     -0.2608000     -0.7596000    
 O  -8.6800002E-02 -0.2769000       1.347800    
 N    2.361700     -0.4966000      6.8999999E-03
 N    4.855100      0.9668000      1.1600000E-02
 C    3.559300      -1.029600     -0.6540000    
 C    2.384100      0.9711000      1.3000000E-03
 C    1.148200     -0.9999000     -0.6334000    
 C    4.832700     -0.5010000      1.5300000E-02
 C    3.656800       1.499600      0.6718000    
 C    1.151500      -2.532300     -0.7134000    
 C  -4.9899999E-02 -0.4721000      0.1394000    
 C    6.068200       1.469100      0.6538000    
 C    1.152400      -3.238800      0.6381000    
 C   -2.251700      0.2275000     -0.1471000    
 C   -2.419500       1.591500     -3.4699999E-02
 C   -3.184800     -0.6719000      0.3242000    
 C   -1.403200       2.558000     -0.5474000    
 C   -2.994100      -2.147600      0.1991000    
 C   -3.574000       2.079000      0.5777000    
 C   -4.339300     -0.1843000      0.9366000    
 C   -4.533800       1.191200       1.063400    
 C   -1.663100       2.956300      -1.997200    
 C   -3.574400      -2.698200      -1.100200    
 H    3.627500      -2.117500     -0.5643000    
 H    3.568600     -0.7773000      -1.722900    
 H    2.321800       1.360600      -1.024300    
 H    1.547800       1.398700      0.5615000    
 H    1.090700     -0.6040000      -1.657500    
 H    5.698800     -0.8852000     -0.5375000    
 H    4.900500     -0.8906000       1.040400    
 H    3.648100       1.238300       1.738800    
 H    3.653800       2.594400      0.6037000    
 H   0.2252000      -2.835200      -1.222100    
 H    1.948000      -2.923900      -1.353900    
 H    6.959100       1.105300      0.1301000    
 H    6.137800       1.165400       1.704700    
 H    6.102100       2.563300      0.6084000    
 H    2.048200      -2.999200       1.218500    
 H    1.135200      -4.323400      0.4878000    
 H   0.2743000      -2.978900       1.235600    
 H  -0.3899000       2.158600     -0.4597000    
 H   -1.406600       3.461100      7.6600000E-02
 H   -1.938300      -2.423400      0.2730000    
 H   -3.476600      -2.652900       1.045800    
 H   -3.739800       3.148100      0.6815000    
 H   -5.096700     -0.8643000       1.317900    
 H   -5.433300       1.570700       1.539300    
 H   -2.647600       3.422300      -2.110700    
 H  -0.9071000       3.673100      -2.333200    
 H   -1.623800       2.085300      -2.660100    
 H   -3.087000      -2.249600      -1.972400    
 H   -3.428500      -3.781900      -1.149500    
 H   -4.648400      -2.496000      -1.172900    


%chk=000120935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120935

0 1
O -1.184237 -0.166755 -0.592094
O -0.067913 -0.066578 1.467329
N 2.426669 -0.425392 -0.034237
N 5.035067 0.871623 0.033746
C 3.584033 -0.967678 -0.792855
C 2.562792 1.051170 0.103336
C 1.120185 -0.820664 -0.611705
C 4.904124 -0.596757 -0.097334
C 3.885161 1.414133 0.794421
C 0.946412 -2.369214 -0.746825
C -0.043742 -0.303313 0.247555
C 6.332635 1.271307 0.610340
C 1.162525 -3.143293 0.569945
C -2.427320 0.283951 -0.012200
C -2.679022 1.677253 0.012938
C -3.353787 -0.688426 0.433721
C -1.660327 2.681909 -0.503073
C -3.050029 -2.176598 0.359827
C -3.936989 2.098508 0.511016
C -4.598800 -0.219551 0.922903
C -4.891708 1.160783 0.961622
C -1.606844 2.737192 -2.053377
C -3.241992 -2.750936 -1.069674
H 3.514893 -2.067892 -0.838233
H 3.606028 -0.575795 -1.841766
H 2.529422 1.553114 -0.897311
H 1.730274 1.430866 0.719129
H 0.969590 -0.384186 -1.633039
H 5.750950 -0.978023 -0.698977
H 4.933635 -1.102885 0.902428
H 3.861154 1.019442 1.842044
H 3.979514 2.515258 0.844800
H -0.070958 -2.552195 -1.140402
H 1.642559 -2.734885 -1.524389
H 7.154518 0.892220 -0.023658
H 6.492411 0.887805 1.650546
H 6.403006 2.373598 0.638472
H 2.171379 -2.959536 0.977189
H 1.038901 -4.229125 0.404846
H 0.442717 -2.828006 1.346393
H -0.653349 2.436175 -0.116093
H -1.913577 3.683979 -0.109560
H -2.013484 -2.372085 0.692628
H -3.714029 -2.714922 1.061512
H -4.160252 3.171418 0.546866
H -5.335926 -0.948699 1.279801
H -5.857052 1.505213 1.348497
H -2.589820 3.020590 -2.470919
H -0.861228 3.479566 -2.392619
H -1.330103 1.752543 -2.468533
H -2.574373 -2.242604 -1.787615
H -3.017691 -3.833373 -1.090654
H -4.282104 -2.608249 -1.414108


