%chk=000121534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121534

0 1
 O   -5.237600      0.7790000      0.9016000    
 O    3.444500       2.213300      0.5051000    
 N   -3.509200     -0.1339000     -0.3218000    
 N   -1.099900      -1.402500      0.5216000    
 C   -2.358600     -0.1091000      -1.212600    
 C   -3.577600      -1.492100      0.1861000    
 C   -2.554600      -1.401100      -2.020400    
 C   -3.369200      -2.322000      -1.088300    
 C   -1.102400     -0.1833000     -0.3140000    
 C   -2.401100      -1.655300       1.175400    
 C   -4.275800      0.9125000      0.1433000    
 C  -9.3999999E-03  -1.384300       1.490300    
 C   -3.875400       2.280100     -0.3450000    
 C    1.326800      -1.303100      0.8135000    
 C   -4.815600       3.322800      0.2103000    
 C    2.196000     -0.3007000       1.018500    
 C    3.523600     -0.1854000      0.3919000    
 C    4.087900       1.060400      0.1636000    
 C    4.189500      -1.350100      3.9099999E-02
 C    5.347000       1.144200     -0.4312000    
 C    5.448400      -1.266400     -0.5556000    
 C    6.027200     -1.9300001E-02 -0.7908000    
 C    2.595300       2.796300     -0.4804000    
 H   -2.329400      0.7787000      -1.848600    
 H   -4.532200      -1.699600      0.6788000    
 H   -1.611000      -1.854800      -2.339800    
 H   -3.144600      -1.195400      -2.921700    
 H   -4.335900      -2.539300      -1.558300    
 H   -2.870500      -3.278300     -0.9012000    
 H  -0.2247000     -0.1683000     -0.9704000    
 H   -1.064200      0.7121000      0.3206000    
 H   -2.543200     -0.9619000       2.015100    
 H   -2.411500      -2.674900       1.578300    
 H  -1.9700000E-02  -2.315800       2.070400    
 H  -0.1388000     -0.5642000       2.208800    
 H   -2.850000       2.493700     -2.7100001E-02
 H   -3.920900       2.301400      -1.438500    
 H    1.558900      -2.114100      0.1278000    
 H   -4.530300       4.317300     -0.1475000    
 H   -4.791500       3.342600       1.305300    
 H   -5.849400       3.139300     -0.1020000    
 H    1.920100      0.5018000       1.698700    
 H    3.782400      -2.339700      0.2252000    
 H    5.804900       2.112100     -0.6166000    
 H    5.980700      -2.172100     -0.8313000    
 H    7.008100      4.5800000E-02  -1.252600    
 H    1.803000       2.100900     -0.7752000    
 H    3.177300       3.094500      -1.358300    
 H    2.132800       3.688300     -4.9100000E-02


%chk=000121534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121534

0 1
O -5.635404 0.520399 0.967679
O 4.032490 2.002864 0.914376
N -3.848717 -0.276427 -0.273493
N -1.244695 -1.072302 0.650698
C -2.683574 -0.239013 -1.193948
C -3.678670 -1.544506 0.480306
C -2.682350 -1.685955 -1.775885
C -3.350130 -2.557108 -0.655982
C -1.419800 0.025696 -0.330538
C -2.474564 -1.351283 1.438575
C -4.786332 0.691936 0.033812
C -0.032307 -0.921823 1.492464
C -4.753959 1.967325 -0.828001
C 1.240820 -1.022615 0.682176
C -5.915951 2.920541 -0.496683
C 2.250622 -0.106822 0.734303
C 3.533287 -0.166126 0.006888
C 4.451923 0.930370 0.106564
C 3.921499 -1.269094 -0.799923
C 5.691762 0.912475 -0.575638
C 5.152587 -1.295267 -1.486340
C 6.038978 -0.200618 -1.372738
C 4.932535 3.148024 1.057193
H -2.791121 0.541746 -1.963152
H -4.594893 -1.765923 1.048716
H -1.654406 -2.019854 -1.993782
H -3.270706 -1.719924 -2.709794
H -4.277614 -3.031336 -1.021114
H -2.667860 -3.344998 -0.296213
H -0.518120 0.073236 -0.967974
H -1.533356 1.023447 0.168370
H -2.725335 -0.526800 2.151009
H -2.308147 -2.272484 2.028805
H -0.059295 -1.745595 2.236586
H -0.034114 0.036049 2.072604
H -3.783178 2.480830 -0.670308
H -4.782694 1.685717 -1.899943
H 1.304192 -1.911320 0.038058
H -5.843467 3.844223 -1.099401
H -5.906339 3.189300 0.572755
H -6.888312 2.440524 -0.699331
H 2.119735 0.775610 1.373152
H 3.245238 -2.126769 -0.883259
H 6.387044 1.752901 -0.494242
H 5.421530 -2.161689 -2.099521
H 7.000019 -0.209745 -1.898662
H 5.121086 3.636688 0.081471
H 5.895518 2.850318 1.515840
H 4.404745 3.845275 1.724464


