%chk=000077157.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077157

0 1
 O   -1.257500      0.4216000      0.2353000    
 O   0.6527000     -0.1988000       1.834600    
 O  -0.4436000      -1.325600      -1.018800    
 N   -5.353100     -0.4409000      0.2827000    
 C   -2.558300      0.1912000     -0.2907000    
 C   -3.520800       1.218600      0.2964000    
 C   -3.018500      -1.222000      5.5599999E-02
 C   -4.964600      0.9222000     -0.1071000    
 C   -4.477600      -1.443600     -0.3411000    
 C   -6.750800     -0.6942000     -6.6299997E-02
 C    1.068600     -9.1700003E-02  0.4578000    
 C  -0.2674000     -0.4184000     -0.2142000    
 C    1.582000       1.320900      0.1682000    
 C    2.148400      -1.135500      0.1640000    
 C    1.406800       1.839100      -1.094100    
 C    2.649500      -1.222700      -1.114400    
 C    2.198400       2.018100       1.181500    
 C    2.577000      -1.946700       1.189500    
 C    1.874300       3.126500      -1.358100    
 C    3.633800      -2.174000      -1.382400    
 C    2.665900       3.305600      0.9174000    
 C    3.561400      -2.897900      0.9214000    
 C    2.503800       3.859700     -0.3524000    
 C    4.089800      -3.011500     -0.3645000    
 H   -2.527100      0.3217000      -1.380700    
 H   -3.235300       2.224600     -3.4100000E-02
 H   -3.430400       1.229700       1.391000    
 H   -2.894100      -1.394900       1.133500    
 H   -2.438200      -2.006100     -0.4340000    
 H   -5.615200       1.650500      0.3920000    
 H   -5.081900       1.067900      -1.189100    
 H   -4.570800      -1.418500      -1.434900    
 H   -4.773300      -2.447200     -1.1600000E-02
 H   -7.409200      2.1600001E-02  0.4384000    
 H   -7.056700      -1.691300      0.2693000    
 H   -6.927600     -0.6239000      -1.145700    
 H   0.1157000      0.5813000       2.058000    
 H   0.9141000       1.291100      -1.890500    
 H    2.299500     -0.6023000      -1.930800    
 H    2.347000       1.600300       2.172000    
 H    2.193000      -1.888100       2.201900    
 H    1.746900       3.558600      -2.346300    
 H    4.041600      -2.266400      -2.384900    
 H    3.159000       3.875600       1.699500    
 H    3.917100      -3.550200       1.713700    
 H    2.868100       4.861900     -0.5580000    
 H    4.855300      -3.753000     -0.5734000    


%chk=000077157-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077157

0 1
O -1.313435 0.226837 0.477539
O 0.807496 0.181647 1.927249
O -0.281766 -0.420748 -1.510375
N -5.463902 -0.677747 0.241193
C -2.676434 0.058254 -0.141054
C -3.633296 0.965646 0.637564
C -3.103420 -1.415597 -0.058112
C -5.074819 0.746885 0.125465
C -4.562448 -1.554288 -0.543552
C -6.886741 -0.900581 -0.081687
C 1.105776 0.168937 0.492953
C -0.205050 -0.067813 -0.314892
C 1.719917 1.533970 0.071069
C 2.086858 -0.998524 0.240281
C 1.581513 2.078957 -1.229623
C 2.745466 -1.133278 -1.006284
C 2.487439 2.232769 1.036522
C 2.318965 -1.955340 1.257023
C 2.199479 3.308524 -1.555218
C 3.622947 -2.215331 -1.233491
C 3.106771 3.457000 0.706784
C 3.203336 -3.034172 1.028915
C 2.965109 4.001428 -0.591386
C 3.856675 -3.170263 -0.216639
H -2.593312 0.372049 -1.200010
H -3.343692 2.025656 0.518589
H -3.589082 0.709148 1.711689
H -3.035966 -1.752462 0.992227
H -2.437400 -2.043250 -0.676196
H -5.775087 1.353505 0.728156
H -5.152229 1.108532 -0.935442
H -4.613720 -1.318164 -1.640494
H -4.893203 -2.601528 -0.419970
H -7.519697 -0.280564 0.578127
H -7.146254 -1.959723 0.094743
H -7.147065 -0.653676 -1.142433
H -0.102749 0.563879 2.037177
H 0.994376 1.552779 -1.990313
H 2.577601 -0.397954 -1.798464
H 2.582003 1.806877 2.039820
H 1.812282 -1.834908 2.217602
H 2.081769 3.721996 -2.563371
H 4.125830 -2.310814 -2.202398
H 3.700005 3.985775 1.461543
H 3.380924 -3.766659 1.824766
H 3.444657 4.953053 -0.846946
H 4.541272 -4.007819 -0.393045


