%chk=000178092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178092

0 1
 O    2.378600      0.3271000      0.6185000    
 O    3.724900     -0.2437000      -1.174800    
 O   1.3700000E-02  0.1355000      0.6652000    
 N   0.2995000      -4.025600      2.6000000E-03
 C    4.637200      0.9801000      0.6330000    
 C    5.383300       2.080300     -6.2799998E-02
 C    4.440800       2.405600       1.058500    
 C    3.541400      0.2827000     -8.6900003E-02
 C    1.222000     -0.3124000      3.4499999E-02
 C    1.338800      -1.824300      0.2889000    
 C   0.1447000      -2.600600     -0.2674000    
 C  -0.8358000      -4.777600     -0.5126000    
 C  -0.6621000       1.182200      9.8399997E-02
 C   -2.057300       1.297600      0.2102000    
 C   -2.018800      -4.672500      0.4456000    
 C  -0.4281000      -6.232500     -0.7222000    
 C   -2.711200       2.397700     -0.3941000    
 C   7.7799998E-02   2.137500     -0.5994000    
 C   -2.817900      0.3456000      0.9084000    
 C   -1.950700       3.350000      -1.092200    
 C  -0.5653000       3.219400      -1.193200    
 C   -4.106300       2.513400     -0.2824000    
 C   -4.203200      0.4762000       1.009200    
 C   -4.846300       1.558100      0.4149000    
 H    5.221400      0.3432000       1.289400    
 H    6.445600       2.170100      0.1294000    
 H    5.085200       2.360600      -1.065800    
 H    3.515500       2.908100      0.8038000    
 H    4.869200       2.712600       2.004900    
 H    1.189300     -0.1476000      -1.051800    
 H    2.271600      -2.208600     -0.1410000    
 H    1.408900      -1.996900       1.371700    
 H  -0.7718000      -2.221900      0.1942000    
 H   7.5700000E-02  -2.422200      -1.347600    
 H    1.160900      -4.348900     -0.4379000    
 H   -1.139500      -4.393400      -1.495300    
 H   -2.848800      -5.298300      9.8499998E-02
 H   -2.400600      -3.649700      0.5221000    
 H   -1.749700      -5.010800       1.452700    
 H   -1.266500      -6.816200      -1.117800    
 H   0.3967000      -6.313500      -1.439200    
 H  -0.1087000      -6.699900      0.2162000    
 H    1.158200       2.102100     -0.6864000    
 H   -2.347000     -0.5109000       1.385600    
 H   -2.432000       4.204600      -1.563100    
 H   1.1300000E-02   3.966800      -1.730700    
 H   -4.629900       3.350800     -0.7389000    
 H   -4.779900     -0.2671000       1.552100    
 H   -5.924800       1.659100      0.4938000    


%chk=000178092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178092

0 1
O 2.064206 0.198385 0.699431
O 3.168287 0.874816 -1.258739
O -0.261246 -0.081077 0.305093
N 0.340871 -4.332168 -0.109710
C 3.968065 1.593153 0.937258
C 5.468715 1.696712 0.556014
C 4.590104 2.931068 0.462631
C 3.069236 0.885158 -0.005158
C 1.041223 -0.560375 -0.087764
C 1.134860 -2.029010 0.309273
C 0.139163 -2.913147 -0.468974
C -0.570389 -5.308895 -0.767961
C -0.757615 1.137824 -0.220557
C -2.058681 1.503868 0.279215
C -1.997016 -5.203418 -0.185296
C 0.000944 -6.726831 -0.562505
C -2.667531 2.719073 -0.219777
C -0.082985 1.933872 -1.150454
C -2.759250 0.710054 1.244568
C -1.965644 3.518856 -1.182559
C -0.703900 3.129756 -1.630424
C -3.964160 3.088721 0.269626
C -4.021211 1.100665 1.701119
C -4.629868 2.298418 1.209299
H 3.708098 1.489602 1.991813
H 6.186726 1.616277 1.376143
H 5.762123 1.213671 -0.379752
H 4.299444 3.271151 -0.534743
H 4.691806 3.715155 1.217283
H 1.235540 -0.388343 -1.164039
H 2.172798 -2.363192 0.112579
H 0.951982 -2.128833 1.393191
H -0.888060 -2.613694 -0.198081
H 0.250532 -2.724904 -1.569393
H 1.324381 -4.606771 -0.252464
H -0.632772 -5.114380 -1.870283
H -2.664957 -5.942324 -0.665203
H -2.435336 -4.202238 -0.346295
H -1.970733 -5.397174 0.902085
H -0.652049 -7.483521 -1.032069
H 1.009118 -6.825011 -1.010494
H 0.078567 -6.950591 0.517183
H 0.912101 1.672254 -1.521274
H -2.283488 -0.200540 1.618591
H -2.432938 4.437055 -1.555850
H -0.164423 3.741127 -2.361831
H -4.425722 4.008859 -0.108294
H -4.549119 0.489507 2.441448
H -5.619798 2.593281 1.574902


