%chk=000109755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109755

0 1
 O  -5.0799999E-02   1.380500       1.286700    
 O   -2.605500      -2.209700     -0.3580000    
 N    3.328100     -0.7246000      0.4523000    
 N   -3.646900     -0.3461000      0.4369000    
 N    2.269700      4.8500001E-02  0.7634000    
 N   -2.519000      0.3171000      0.7563000    
 C    4.553100     -0.1496000      7.9200000E-02
 C    5.655500     -0.9471000     -0.2476000    
 C    5.885300       1.831700     -0.3362000    
 C    4.675400       1.243400      3.2499999E-02
 C    6.865200     -0.3588000     -0.6161000    
 C    6.980200       1.030600     -0.6605000    
 C    5.560700      -2.437700     -0.2090000    
 C   -4.804700      0.3492000      5.4499999E-02
 C   -5.980700     -0.3327000     -0.2767000    
 C    6.008700       3.317200     -0.3838000    
 C    1.135900     -0.5018000      0.4910000    
 C   -1.443600     -0.3451000      0.4922000    
 C  -0.1150000      0.2683000      0.7964000    
 C   -4.783700       1.747300      3.1999999E-03
 C   -7.121800      0.3750000     -0.6546000    
 C   0.9625000      -1.848600     -0.1052000    
 C   -6.039400      -1.825100     -0.2330000    
 C   -1.519500      -1.713300     -0.1105000    
 C  -0.2312000      -2.392000     -0.3751000    
 C   -5.924800       2.454800     -0.3747000    
 C   -7.093700       1.768800     -0.7036000    
 H    3.838500       1.891700      0.2820000    
 H    7.728500     -0.9678000     -0.8710000    
 H    7.928900       1.476200     -0.9474000    
 H    3.318400      -1.714800      0.6623000    
 H    4.762900      -2.791200     -0.8707000    
 H    6.489300      -2.912800     -0.5440000    
 H    5.368400      -2.783400      0.8121000    
 H    5.086600       3.774300     -0.7586000    
 H    6.216100       3.709200      0.6168000    
 H    6.816700       3.630000      -1.053900    
 H   -3.892600       2.317800      0.2516000    
 H   -8.041200     -0.1432000     -0.9144000    
 H   -3.736800      -1.332500      0.6452000    
 H    1.829000      -2.443100     -0.3704000    
 H   -5.329300      -2.258700     -0.9443000    
 H   -5.820900      -2.192000      0.7752000    
 H   -7.033400      -2.199500     -0.5017000    
 H  -0.2905000      -3.380000     -0.8208000    
 H   -5.903600       3.540100     -0.4131000    
 H   -7.982100       2.320000     -0.9979000    


%chk=000109755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109755

0 1
O -0.004434 1.320631 -0.232991
O -2.701942 -2.707257 -0.010266
N 3.447140 -0.848482 -0.102635
N -3.737708 -0.356657 -0.110170
N 2.279508 -0.189435 -0.142722
N -2.517491 0.189408 -0.144941
C 4.680477 -0.138712 -0.137334
C 5.893802 -0.887913 -0.081420
C 5.900478 1.986986 -0.265854
C 4.681937 1.273923 -0.229557
C 7.102116 -0.155871 -0.123272
C 7.115004 1.253449 -0.215637
C 5.900491 -2.405501 0.016553
C -4.893152 0.463771 -0.132759
C -6.167883 -0.180572 -0.095134
C 5.903011 3.503784 -0.335329
C 1.101353 -0.844087 -0.113269
C -1.437174 -0.638154 -0.115528
C -0.109902 0.060497 -0.160608
C -4.775708 1.876397 -0.190511
C -7.316459 0.645357 -0.116734
C 0.931573 -2.284579 -0.042495
C -6.289012 -1.693507 -0.034863
C -1.542545 -2.104798 -0.043788
C -0.308004 -2.885367 -0.010184
C -5.938877 2.667129 -0.210941
C -7.215069 2.053985 -0.173905
H 3.719533 1.792496 -0.271801
H 8.051093 -0.703939 -0.085981
H 8.071980 1.786775 -0.249659
H 3.499372 -1.875650 -0.046033
H 5.413719 -2.887865 -0.855323
H 6.935805 -2.782512 0.051398
H 5.395314 -2.771045 0.933418
H 5.084404 3.880231 -0.973316
H 5.761068 3.945386 0.669959
H 6.857195 3.889092 -0.734789
H -3.775999 2.318372 -0.217862
H -8.305246 0.172837 -0.088295
H -3.780058 -1.411757 -0.063860
H 1.811908 -2.942677 -0.014744
H -5.819501 -2.183480 -0.909752
H -5.803680 -2.114333 0.866966
H -7.348231 -1.998128 -0.013845
H -0.422517 -3.972910 0.041391
H -5.852288 3.757995 -0.255241
H -8.122501 2.667188 -0.189338


