%chk=000168083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168083

0 1
 O   0.7849000      -2.164400      -2.734100    
 O    1.943700       1.021700      -2.022300    
 O   0.8216000      -2.788000      0.5468000    
 N   9.3199998E-02  0.4329000     -0.6479000    
 N  -0.2914000     -0.7507000      2.5800001E-02
 C    1.838700      -1.105900     -0.8690000    
 C    3.133600     -0.9383000     -7.8199998E-02
 C    1.317300      0.2507000      -1.309500    
 C   0.7597000      -1.680500      3.2200001E-02
 C    2.034600      -2.002300      -2.089000    
 C    2.907700     -0.1153000       1.187300    
 C    4.199500      2.2800000E-02   1.992600    
 C  -0.4333000       1.728300     -0.3571000    
 C   -1.646200      -1.126800      0.2764000    
 C    3.976400      0.8128000       3.272300    
 C  -0.1429000       2.807400      -1.194500    
 C   -1.930500      -2.209300       1.111500    
 C   -1.239300       1.920100      0.7671000    
 C   -2.691400     -0.4137000     -0.3147000    
 C  -0.6564000       4.072800     -0.9092000    
 C   -3.254100      -2.576900       1.354900    
 C   -1.752600       3.185300       1.052400    
 C   -4.014900     -0.7815000     -7.1400002E-02
 C   -1.461500       4.261800      0.2142000    
 C   -4.296300      -1.862900      0.7636000    
 H    3.897500     -0.4518000     -0.6983000    
 H    3.530400      -1.922900      0.2013000    
 H    2.391000      -2.996400      -1.799300    
 H    2.747200      -1.578700      -2.804900    
 H    2.546500      0.8889000      0.9378000    
 H    2.154600     -0.5814000       1.832400    
 H    4.963700      0.5246000       1.387800    
 H    4.587800     -0.9699000       2.248700    
 H   0.5524000      -1.321200      -3.158100    
 H    3.242500      0.3182000       3.916500    
 H    3.615300       1.822500       3.052100    
 H    4.913300      0.9015000       3.831000    
 H   0.4339000       2.709200      -2.106500    
 H   -1.164700      -2.767400       1.637000    
 H   -1.430500       1.140700       1.496900    
 H   -2.531200      0.3812000      -1.035200    
 H  -0.4386000       4.909100      -1.567000    
 H   -3.474300      -3.412300       2.013200    
 H   -2.364500       3.336900       1.936900    
 H   -4.826300     -0.2372000     -0.5460000    
 H   -1.860000       5.247100      0.4373000    
 H   -5.326700      -2.149900      0.9518000    


%chk=000168083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168083

0 1
O 1.052268 -1.853012 -3.130812
O 1.902224 1.134003 -1.976249
O 0.657656 -2.874915 0.436592
N 0.056001 0.452228 -0.651200
N -0.323344 -0.748640 0.065350
C 1.843941 -1.100867 -0.861551
C 3.157661 -0.974749 -0.032395
C 1.313192 0.277246 -1.262689
C 0.708511 -1.712421 -0.034986
C 2.112574 -1.972058 -2.129943
C 3.024518 -0.178635 1.284728
C 4.368771 -0.079179 2.041350
C -0.548694 1.717578 -0.334688
C -1.712924 -1.067085 0.271349
C 4.252184 0.717882 3.358166
C -0.547721 2.741685 -1.314962
C -2.057467 -1.899968 1.363753
C -1.109886 1.948886 0.946545
C -2.709133 -0.590346 -0.615719
C -1.105228 3.999365 -1.000079
C -3.408415 -2.258233 1.559574
C -1.676379 3.206932 1.238629
C -4.056975 -0.942733 -0.395316
C -1.676614 4.238056 0.270888
C -4.413572 -1.777668 0.689073
H 3.913574 -0.489406 -0.680864
H 3.508883 -2.002435 0.187296
H 2.124444 -3.034173 -1.835203
H 3.097658 -1.686196 -2.549932
H 2.655444 0.845245 1.071012
H 2.275178 -0.661563 1.944087
H 5.122620 0.399896 1.383992
H 4.743290 -1.100670 2.256123
H 1.159659 -0.991055 -3.608562
H 3.526665 0.244527 4.046380
H 3.907916 1.751491 3.166185
H 5.224113 0.777079 3.881127
H -0.100732 2.557904 -2.293988
H -1.276589 -2.273744 2.029966
H -1.102022 1.159001 1.702486
H -2.433587 0.039174 -1.466273
H -1.096978 4.791631 -1.756395
H -3.673611 -2.910883 2.398278
H -2.113987 3.380967 2.227596
H -4.827682 -0.570815 -1.079067
H -2.116641 5.213384 0.504200
H -5.461363 -2.051811 0.851750


