%chk=000035903.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035903

0 1
 O  -0.5397000      0.7405000     -0.1746000    
 O   0.7404000      0.1427000       1.623700    
 N   -4.170000      1.0500000E-02  0.1107000    
 N    1.658600      0.4448000     -0.5084000    
 C   -1.714700      0.1572000      0.3785000    
 C   -2.944900      0.6447000     -0.3924000    
 C   -4.095300      -1.453200     -2.4999999E-03
 C   -1.599300      -1.364200      0.3343000    
 C   -2.904700      -2.009700      0.7810000    
 C   -5.340900      0.5204000     -0.6023000    
 C   -5.401600       2.041800     -0.4996000    
 C   -6.602100     -0.1182000     -2.9200001E-02
 C   0.6478000      0.4129000      0.4324000    
 C    3.033100      0.1749000     -0.3187000    
 C    3.892200       1.210500      2.1600001E-02
 C    3.503000      -1.121400     -0.4765000    
 C    5.248700      0.9444000      0.2078000    
 C    4.859600      -1.387500     -0.2902000    
 C    3.404400       2.612500      0.1950000    
 C    2.593100      -2.249100     -0.8425000    
 C    5.732400     -0.3544000      5.2000001E-02
 H   -1.810100      0.4906000       1.421400    
 H   -2.955500       1.731800     -0.2599000    
 H   -2.809100      0.4639000      -1.467700    
 H   -4.023300      -1.763800      -1.053200    
 H   -4.974100      -1.941900      0.4286000    
 H  -0.7869000      -1.733100      0.9688000    
 H   -1.352500      -1.687300     -0.6857000    
 H   -2.845600      -3.095300      0.6425000    
 H   -3.053000      -1.831200       1.853700    
 H   -5.289800      0.2625000      -1.669200    
 H   -5.266800       2.387800      0.5316000    
 H   -4.663900       2.536000      -1.140000    
 H   -6.378900       2.408500     -0.8359000    
 H   -6.622800     -7.3799998E-02   1.065900    
 H   -6.728800      -1.158700     -0.3448000    
 H   -7.494000      0.4094000     -0.3879000    
 H    1.394300      0.6878000      -1.459900    
 H    5.942700       1.736800      0.4753000    
 H    5.253600      -2.393700     -0.4067000    
 H    4.228300       3.311500      0.3753000    
 H    2.884400       2.954000     -0.7062000    
 H    2.725200       2.676900       1.051400    
 H    2.049800      -2.022300      -1.766000    
 H    3.145300      -3.179400      -1.014500    
 H    1.875100      -2.436500     -3.7400000E-02
 H    6.788600     -0.5618000      0.1974000    


%chk=000035903-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035903

0 1
O -0.506369 -0.192032 -0.520357
O 0.761461 -0.011341 1.467139
N -4.197186 0.075390 0.062314
N 1.741205 -0.011800 -0.690857
C -1.754723 -0.320063 0.289906
C -2.883987 0.165836 -0.632141
C -4.464309 -1.337472 0.456448
C -1.968052 -1.771925 0.735065
C -3.362873 -1.877197 1.391543
C -5.311614 0.684596 -0.743435
C -5.018221 2.169081 -1.066726
C -6.659846 0.589812 0.008972
C 0.693228 -0.064285 0.214909
C 3.138659 0.057996 -0.363394
C 3.651383 1.114201 0.444824
C 3.996490 -0.935236 -0.925325
C 5.043610 1.126522 0.713813
C 5.381462 -0.870980 -0.648050
C 2.764756 2.216781 0.985767
C 3.432818 -2.045292 -1.795371
C 5.905348 0.147392 0.177870
H -1.666999 0.339768 1.172224
H -2.677938 1.211939 -0.905587
H -2.867533 -0.444961 -1.572733
H -4.539040 -1.999411 -0.448476
H -5.430462 -1.385540 0.983289
H -1.173079 -2.078505 1.437153
H -1.917112 -2.430353 -0.155244
H -3.584047 -2.929985 1.649510
H -3.376654 -1.293491 2.331907
H -5.418655 0.131953 -1.716063
H -4.777704 2.716777 -0.137023
H -4.183838 2.300305 -1.776638
H -5.909968 2.632971 -1.524813
H -6.554110 1.003492 1.028755
H -7.038461 -0.443628 0.086306
H -7.425824 1.177580 -0.527689
H 1.479131 -0.197356 -1.661654
H 5.450868 1.929676 1.339058
H 6.046965 -1.632140 -1.071719
H 3.370327 3.076530 1.319422
H 2.050474 2.570214 0.218891
H 2.160763 1.854671 1.837294
H 3.052427 -1.666176 -2.765896
H 4.208869 -2.794712 -2.023963
H 2.591970 -2.562550 -1.296867
H 6.978690 0.181746 0.394643


