%chk=000040907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040907

1 1
 O    5.397500      -1.328400      -1.374700    
 O   0.2298000      0.6094000      0.2344000    
 O  -0.3359000      -1.464500     -0.5823000    
 O   -1.737500     -1.8800000E-02   1.924600    
 N    4.267100      0.3959000       1.038700    
 C    3.712400     -0.8583000      0.3132000    
 C    3.890900       1.484900      1.5000000E-02
 C    4.166600     -0.6534000      -1.145800    
 C    4.334900      0.8633000      -1.321500    
 C    2.173700     -0.8355000      0.3833000    
 C    2.367700       1.706900      3.6100000E-02
 C    1.560600      0.4296000     -0.2390000    
 C    5.755600      0.3266000       1.384200    
 C    3.566100      0.6322000       2.390400    
 C    5.258200      -2.733500      -1.215900    
 C  -0.6382000     -0.4277000     -3.4000000E-03
 C   -2.038400     -9.1300003E-02  0.5160000    
 C   -3.078900      -1.182600      0.2523000    
 C   -2.538700       1.269400      2.6100000E-02
 C   -3.467400      -1.421900      -1.045600    
 C   -3.247100       2.063500      0.8984000    
 C   -3.585000      -1.882300       1.323300    
 C   -2.260600       1.646900      -1.267400    
 C   -4.415300      -2.416500      -1.286000    
 C   -3.703000       3.303900      0.4521000    
 C   -4.533000      -2.877000       1.082700    
 C   -2.716400       2.887400      -1.713500    
 C   -4.948000      -3.144000     -0.2220000    
 C   -3.437700       3.715900     -0.8537000    
 H    4.108300      -1.728500      0.8397000    
 H    4.435400       2.402500      0.2608000    
 H    3.436500      -1.032900      -1.871200    
 H    3.741700       1.242100      -2.160900    
 H    5.380800       1.117600      -1.530200    
 H    1.845600      -1.724300     -0.1677000    
 H    1.810500      -1.007000       1.403100    
 H    2.044500       2.191100      0.9648000    
 H    2.106900       2.443800     -0.7364000    
 H    1.507000      0.3029000      -1.328900    
 H    6.040600       1.263600       1.871300    
 H    6.332200      0.2013000      0.4663000    
 H    5.915400     -0.5278000       2.047900    
 H    3.955100       1.567200       2.806600    
 H    3.822500     -0.2062000       3.046300    
 H    2.483300      0.7035000       2.315000    
 H    5.381300      -3.024500     -0.1697000    
 H    4.308300      -3.105300      -1.613600    
 H    6.067600      -3.211100      -1.776400    
 H   -1.230500      0.7942000       2.094100    
 H   -3.053700     -0.8905000      -1.894300    
 H   -3.477300       1.756400       1.913500    
 H   -3.288100      -1.702200       2.350700    
 H   -1.698900       1.022900      -1.954900    
 H   -4.734500      -2.628600      -2.302300    
 H   -4.267600       3.947600       1.120400    
 H   -4.948300      -3.443900       1.910900    
 H   -2.509300       3.208900      -2.730000    
 H   -5.685100      -3.919400     -0.4094000    
 H   -3.793200       4.681500      -1.201300    


%chk=000040907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040907

1 1
O 5.452156 -1.156394 -1.455855
O 0.299217 0.764268 0.601026
O -0.469623 -0.475445 -1.208176
O -1.990984 0.882126 1.826942
N 4.347104 -0.062061 1.340535
C 3.664860 -1.043328 0.330831
C 4.053072 1.299993 0.620957
C 4.195144 -0.533983 -1.051790
C 4.472399 0.986614 -0.839544
C 2.133326 -0.899976 0.424474
C 2.550783 1.638948 0.736166
C 1.674033 0.545127 0.087401
C 5.858844 -0.317475 1.417441
C 3.816086 -0.153224 2.762929
C 5.294222 -2.460048 -2.127162
C -0.728243 0.167734 -0.170902
C -2.129850 0.456800 0.431691
C -2.932999 -0.863466 0.453524
C -2.832017 1.562809 -0.398445
C -3.479944 -1.384460 -0.743737
C -3.876616 2.281652 0.239031
C -3.104815 -1.567437 1.669608
C -2.509333 1.857073 -1.746083
C -4.194504 -2.601511 -0.724243
C -4.578763 3.285936 -0.459600
C -3.826534 -2.782693 1.685191
C -3.214957 2.865944 -2.442001
C -4.370226 -3.305198 0.490060
C -4.248631 3.584548 -1.802409
H 4.001557 -2.067511 0.564450
H 4.674063 2.074933 1.100055
H 3.422380 -0.718657 -1.824362
H 3.910821 1.614532 -1.548366
H 5.543803 1.171459 -1.015876
H 1.675359 -1.599793 -0.295995
H 1.756663 -1.192586 1.420021
H 2.243410 1.802041 1.783400
H 2.386070 2.601538 0.220073
H 1.643298 0.665264 -1.011937
H 6.327985 0.536475 1.931048
H 6.272415 -0.455123 0.409586
H 6.022584 -1.237354 2.000378
H 4.370002 0.565283 3.387506
H 3.991451 -1.174572 3.135214
H 2.745365 0.070580 2.810267
H 4.856276 -3.223081 -1.452757
H 4.662948 -2.358759 -3.030885
H 6.308722 -2.768514 -2.417766
H -1.510180 1.748374 1.845550
H -3.360760 -0.840502 -1.685987
H -4.137729 2.039144 1.274013
H -2.698302 -1.147405 2.592909
H -1.726842 1.295723 -2.267964
H -4.621590 -2.994745 -1.652998
H -5.387320 3.830327 0.040031
H -3.969438 -3.316284 2.631355
H -2.960481 3.083595 -3.485045
H -4.932606 -4.245158 0.504921
H -4.796132 4.362905 -2.344500


