%chk=000099416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099416

0 1
 O    2.084700     -0.5971000     -0.9503000    
 O    2.530300      5.2800000E-02   1.237100    
 O   -4.313800     -0.8929000      0.5485000    
 N    4.128600      0.3034000     -0.4255000    
 N   -2.552900      0.4185000     -0.2210000    
 N   -4.721500       1.316100     -1.1200000E-02
 C    5.175200      0.8824000      0.3844000    
 C    5.031400       2.398000      0.4311000    
 C    6.545700      0.4737000     -0.1410000    
 C   -1.474100     -0.4996000     -0.1818000    
 C   0.8432000     -0.9883000     -0.5528000    
 C  -0.2184000     -8.4100001E-02 -0.5896000    
 C    2.894700     -6.3199997E-02  7.0799999E-02
 C   -1.701500      -1.790900      0.2615000    
 C   0.6323000      -2.293600     -0.1086000    
 C  -0.6401000      -2.694900      0.2984000    
 C   -3.881600      0.1889000      0.1446000    
 C   -6.145700       1.269500      0.2947000    
 C   -4.216400       2.601400     -0.4893000    
 H    5.066600      0.4959000       1.405000    
 H    5.807500       2.845800       1.060300    
 H    5.109400       2.835100     -0.5707000    
 H    4.057300       2.687100      0.8404000    
 H    6.646500     -0.6171000     -0.1542000    
 H    7.343800      0.8803000      0.4886000    
 H    6.702700      0.8314000      -1.164900    
 H    4.288000      0.1986000      -1.423200    
 H  -5.0299998E-02  0.9320000     -0.9371000    
 H   -2.293400       1.338700     -0.5590000    
 H   -2.647400      -2.186700      0.5963000    
 H    1.454700      -3.003200     -7.7699997E-02
 H  -0.8024000      -3.711800      0.6443000    
 H   -6.709000       1.516800     -0.6097000    
 H   -6.362100       2.000800       1.078800    
 H   -6.444100      0.2769000      0.6408000    
 H   -5.019100       3.344700     -0.5073000    
 H   -3.823400       2.480700      -1.503200    
 H   -3.425800       2.954100      0.1795000    


%chk=000099416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099416

0 1
O 2.227331 -0.960197 -0.175849
O 2.139310 1.386889 0.291806
O -4.517863 -0.916814 -0.281640
N 4.145385 0.193057 0.082575
N -2.524996 0.306155 0.037482
N -4.623101 1.367873 0.228464
C 5.047296 1.350812 0.281923
C 5.241144 2.141078 -1.033919
C 6.383490 0.852114 0.866333
C -1.548892 -0.706792 -0.167929
C 0.831258 -1.239099 -0.253012
C -0.191683 -0.290565 -0.059783
C 2.780243 0.324326 0.085942
C -1.865887 -2.058195 -0.463963
C 0.540219 -2.590104 -0.547904
C -0.810919 -2.978389 -0.648529
C -3.924386 0.177644 -0.022684
C -6.093019 1.335838 0.175546
C -3.965511 2.645420 0.539391
H 4.547138 2.012643 1.013286
H 5.867253 3.034839 -0.857423
H 5.737036 1.515755 -1.799382
H 4.265936 2.474927 -1.427808
H 6.227794 0.312399 1.817190
H 7.055465 1.706232 1.058374
H 6.899403 0.175607 0.157422
H 4.536039 -0.727365 -0.125295
H 0.067532 0.746441 0.167233
H -2.139242 1.228237 0.243186
H -2.911329 -2.357946 -0.544152
H 1.360208 -3.298989 -0.690807
H -1.051575 -4.022492 -0.876827
H -6.477462 2.026293 -0.599943
H -6.532265 1.615497 1.152663
H -6.401354 0.309396 -0.074360
H -4.738624 3.410914 0.710525
H -3.328299 3.006857 -0.294274
H -3.353471 2.589906 1.463141


