%chk=000125215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125215

0 1
 O    1.526200       2.635300      0.8922000    
 O   -5.478500      -2.527000       2.331100    
 O   -6.245200       1.906200      -2.416600    
 N    1.194500       1.472000      0.4813000    
 N   -4.240100      8.8399999E-02  6.7800000E-02
 C    2.089700      0.5852000      0.1744000    
 C    3.537000      0.7869000      0.2285000    
 C    1.813700     -0.7767000     -0.2807000    
 C    4.117800     -0.4274000     -0.1856000    
 C    3.067900      -1.380200     -0.4955000    
 C  -0.2049000       1.115600      0.3747000    
 C   -2.877000      0.4353000      0.1715000    
 C    4.278700       1.892200      0.5938000    
 C   0.6161000      -1.430900     -0.4879000    
 C    5.495800     -0.5446000     -0.2378000    
 C    3.131000      -2.690500     -0.9359000    
 C   -4.938200     -0.4908000       1.198300    
 C   -4.964400      0.3194000      -1.166300    
 C  -0.8439000      0.5648000       1.470200    
 C  -0.8659000       1.335300     -0.8196000    
 C   -2.192100      0.2216000       1.367600    
 C   -2.214000      0.9922000     -0.9220000    
 C    5.667300       1.768000      0.5392000    
 C   0.6860000      -2.751800     -0.9317000    
 C    6.269500      0.5634000      0.1281000    
 C    1.929000      -3.375100      -1.153400    
 C   -4.795100      -2.004400       1.199400    
 C   -5.560900       1.717700      -1.184900    
 H    3.851300       2.832200      0.9133000    
 H  -0.3838000      -1.079600     -0.3600000    
 H    5.977300      -1.464600     -0.5517000    
 H    4.079400      -3.187000      -1.111800    
 H   -6.010400     -0.2601000       1.120700    
 H   -4.670400     -4.2399999E-02   2.161900    
 H   -5.795900     -0.3964000      -1.238000    
 H   -4.386900      9.9900000E-02  -2.071500    
 H  -0.3140000      0.3939000       2.402800    
 H  -0.3548000       1.772700      -1.672400    
 H   -2.642900     -0.2222000       2.247900    
 H   -2.690600       1.199000      -1.873400    
 H    6.295300       2.610600      0.8168000    
 H  -0.2288000      -3.311600      -1.110100    
 H    7.353900      0.4942000      9.4800003E-02
 H    1.954300      -4.405400      -1.499300    
 H   -3.749500      -2.323800       1.249100    
 H   -5.237500      -2.444500      0.2999000    
 H   -4.788000       2.487900      -1.100100    
 H   -6.274100       1.853300     -0.3650000    
 H   -5.050900      -2.163600       3.125300    
 H   -6.618700       2.803900      -2.400900    


%chk=000125215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125215

0 1
O 1.423172 1.636422 2.045145
O -6.669594 -1.293492 2.940701
O -5.873893 1.287903 -3.046855
N 1.167080 0.739126 1.082082
N -4.454728 0.194633 0.229631
C 2.167385 0.136721 0.382270
C 3.560858 0.600645 0.411477
C 2.102799 -1.056257 -0.492748
C 4.324585 -0.240286 -0.469497
C 3.429028 -1.273807 -1.013803
C -0.249064 0.510685 0.829562
C -3.072192 0.301307 0.426446
C 4.182492 1.672071 1.095474
C 1.076241 -1.980844 -0.799274
C 5.695595 -0.002268 -0.678789
C 3.703980 -2.365693 -1.859554
C -5.398861 0.149912 1.360849
C -5.040127 0.140502 -1.121564
C -1.118602 0.406554 1.937679
C -0.784182 0.551074 -0.477270
C -2.501065 0.278096 1.742428
C -2.170088 0.450963 -0.678220
C 5.561355 1.904819 0.872617
C 1.364874 -3.080493 -1.641280
C 6.312234 1.078881 -0.001692
C 2.662606 -3.268150 -2.180095
C -5.611679 -1.280068 1.921961
C -5.291067 1.538246 -1.721904
H 3.602246 2.286609 1.785238
H 0.067734 -1.865230 -0.395840
H 6.281669 -0.638506 -1.351390
H 4.713631 -2.524333 -2.254414
H -6.380734 0.527055 1.022648
H -5.063264 0.830072 2.168038
H -6.005889 -0.393118 -1.075191
H -4.395835 -0.437586 -1.806838
H -0.694062 0.424455 2.945348
H -0.120856 0.682614 -1.337836
H -3.138653 0.162168 2.622634
H -2.547722 0.512371 -1.701963
H 6.058326 2.730427 1.394179
H 0.570913 -3.797113 -1.878659
H 7.380007 1.275945 -0.150034
H 2.860818 -4.122469 -2.836710
H -4.660728 -1.697392 2.311400
H -5.981076 -1.946813 1.125513
H -4.339017 2.103066 -1.797180
H -5.989364 2.108877 -1.073040
H -6.341414 -0.858486 3.767501
H -6.061571 2.146685 -3.500680


