%chk=000089677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089677

0 1
 O   0.6202000       2.121500     -3.7599999E-02
 O   -3.333700      -1.470000      8.1100002E-02
 N    2.474100      0.2853000      1.0400000E-02
 N   -1.682000      -3.489900      0.1311000    
 N    7.138100       1.747300     -4.7499999E-02
 C   4.2900000E-02 -0.1761000      3.1500001E-02
 C  -0.9905000      -1.114800      6.1999999E-02
 C    1.375700     -0.6045000      3.9099999E-02
 C  -0.6911000      -2.482000      9.9399999E-02
 C   -1.669500       1.707500     -1.5600000E-02
 C  -0.2588000       1.269400     -8.7000001E-03
 C   -2.702900      0.7688000      1.5200000E-02
 C   -2.401200     -0.6766000      5.5300001E-02
 C    3.831000     -0.1608000      1.8400000E-02
 C    1.669700      -1.967900      7.6499999E-02
 C   0.6385000      -2.904600      0.1065000    
 C    4.796000       1.022000     -2.8899999E-02
 C   -1.968900       3.074700     -5.3199999E-02
 C   -4.035700       1.197200      8.3999997E-03
 C    6.261300      0.5819000     -1.9200001E-02
 C   -3.298500       3.497300     -5.9599999E-02
 C   -4.329600       2.560600     -2.8999999E-02
 C   -1.484900      -4.786200     -0.4355000    
 H    4.040300     -0.7372000      0.9279000    
 H    4.031500     -0.7985000     -0.8514000    
 H    2.281900       1.278800     -1.4900000E-02
 H    2.681900      -2.359500      8.7499999E-02
 H   0.9134000      -3.954600      0.1480000    
 H    4.603200       1.680800      0.8285000    
 H    4.594400       1.617900     -0.9290000    
 H   -1.184900       3.826800     -7.7600002E-02
 H   -4.859500      0.4890000      3.1800002E-02
 H   -2.636000      -3.197400      0.3052000    
 H    6.471000     -5.3399999E-02 -0.8866000    
 H    6.472200     -2.4999999E-03  0.8826000    
 H   -3.530200       4.558100     -8.8600002E-02
 H   -5.363900       2.892300     -3.4100000E-02
 H  -0.8161000      -5.398500      0.1777000    
 H   -1.092200      -4.727600      -1.456200    
 H   -2.443300      -5.313700     -0.4848000    
 H    6.969000       2.283600     -0.8975000    
 H    8.108400       1.438700     -9.2799999E-02


%chk=000089677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089677

0 1
O 0.767861 2.111811 0.013508
O -3.434102 -1.509742 -0.080716
N 2.483446 0.192987 -0.016043
N -1.793917 -3.485240 -0.120020
N 7.105549 1.941256 -0.023232
C 0.062676 -0.208628 -0.036743
C -1.034271 -1.153651 -0.062835
C 1.427321 -0.684883 -0.040012
C -0.764989 -2.573126 -0.092816
C -1.601726 1.703666 -0.003949
C -0.195481 1.233852 -0.009457
C -2.681036 0.773037 -0.026759
C -2.423038 -0.686325 -0.057151
C 3.897864 -0.193329 -0.021874
C 1.657146 -2.107440 -0.068260
C 0.606843 -3.012131 -0.093382
C 4.791549 1.062184 0.003353
C -1.875662 3.096386 0.024315
C -4.018711 1.248271 -0.021259
C 6.292230 0.711818 -0.060675
C -3.204438 3.558335 0.029701
C -4.280777 2.630139 0.006812
C -1.618096 -4.934330 -0.151242
H 4.131670 -0.829604 0.859650
H 4.131225 -0.797232 -0.926387
H 2.187791 1.196500 0.008562
H 2.684503 -2.482912 -0.068258
H 0.824779 -4.084153 -0.112724
H 4.604551 1.647975 0.922198
H 4.526581 1.711708 -0.856571
H -1.025753 3.785387 0.041788
H -4.825155 0.508948 -0.039239
H -2.739105 -3.036160 -0.112065
H 6.472379 0.071034 -0.961438
H 6.559105 0.099860 0.823331
H -3.410844 4.634166 0.051681
H -5.314865 2.992277 0.011105
H -1.084848 -5.312107 0.744760
H -1.059815 -5.269264 -1.049024
H -2.612776 -5.407868 -0.176638
H 6.917294 2.590127 -0.794120
H 8.108342 1.789603 0.117928


