%chk=000065849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065849

0 1
 O   -4.217700       1.072100      0.4853000    
 O   0.3998000     -0.3864000      -1.801600    
 O    3.042800      -1.664700      -1.064200    
 O    2.514300       3.004800      0.1254000    
 O    4.681800      -2.201100       1.086200    
 N   -3.033700      0.2837000      0.6993000    
 N    1.422500      0.4315000      0.1231000    
 C   -1.835000      0.9467000      0.1669000    
 C   -3.171400      -1.070600      0.1426000    
 C  -0.8701000     -0.2515000      0.2141000    
 C   -1.723800      -1.434200     -0.2571000    
 C   -1.998100       1.547300      -1.242600    
 C   -1.398500       2.056000       1.133400    
 C   -3.667000      -1.981700       1.276100    
 C   -4.125900      -1.217400      -1.053900    
 C   0.3667000     -7.8400001E-02 -0.6131000    
 C    2.733300      0.6707000     -0.4359000    
 C    3.623900     -0.5813000     -0.3369000    
 C    3.375900       1.878300      0.2502000    
 C    3.880400      -1.023800       1.102700    
 H  -0.5772000     -0.4606000       1.254400    
 H   -1.648400      -1.582300      -1.340800    
 H   -1.374600      -2.361400      0.2129000    
 H   -1.090600       2.082700      -1.546000    
 H   -2.190600      0.7916000      -2.007600    
 H   -2.816800       2.274800      -1.276200    
 H   -2.158900       2.842600       1.203100    
 H   -1.230800       1.669500       2.145500    
 H  -0.4698000       2.529200      0.8023000    
 H   -4.669200      -1.691800       1.612900    
 H   -3.713700      -3.026300      0.9476000    
 H   -2.999600      -1.941800       2.145400    
 H   -5.161100     -0.9954000     -0.7706000    
 H   -3.864400     -0.5574000      -1.884400    
 H   -4.107400      -2.244400      -1.437500    
 H   -4.479800       1.229300       1.408100    
 H    1.296900      0.5969000       1.117700    
 H    2.578700      0.9072000      -1.496700    
 H    4.586100     -0.3751000     -0.8218000    
 H    4.334800       2.127700     -0.2144000    
 H    3.540000       1.719600       1.319800    
 H    2.945700      -1.279000       1.611800    
 H    4.413900     -0.2641000       1.679000    
 H    3.636800      -2.429300     -0.9733000    
 H    1.688000       2.789600      0.5885000    
 H    4.823300      -2.462600       2.012100    


%chk=000065849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065849

0 1
O -3.854578 0.810589 1.604296
O 0.235241 0.318993 -2.021192
O 3.377965 -1.726714 1.151637
O 2.660938 1.037724 -2.858587
O 4.637278 0.130846 2.565439
N -2.903513 -0.191111 1.031059
N 1.487866 -0.524958 -0.237227
C -1.554105 0.454637 0.785833
C -3.447308 -0.791680 -0.264695
C -0.954286 -0.683207 -0.118915
C -2.128765 -1.071731 -1.059378
C -1.611578 1.836003 0.081810
C -0.832090 0.584751 2.141316
C -4.190901 -2.094229 0.112528
C -4.406605 0.141572 -1.043972
C 0.304853 -0.261451 -0.881106
C 2.861183 -0.328262 -0.764395
C 3.827130 -0.523525 0.429489
C 3.104700 1.030678 -1.480420
C 3.863540 0.655310 1.421439
H -0.711656 -1.531113 0.550745
H -2.073483 -0.450657 -1.969866
H -2.058181 -2.128544 -1.369241
H -0.633963 2.345670 0.158434
H -1.852723 1.756127 -0.989887
H -2.373000 2.459616 0.580913
H -1.335143 1.346012 2.764918
H -0.848753 -0.377517 2.684089
H 0.217653 0.902791 2.000787
H -5.049418 -1.871373 0.773027
H -4.577182 -2.602000 -0.790884
H -3.516060 -2.785873 0.647126
H -5.301027 0.372493 -0.441558
H -3.926320 1.094879 -1.316964
H -4.726602 -0.363272 -1.974283
H -4.074477 0.410921 2.485114
H 1.475273 -1.124852 0.598676
H 3.076047 -1.119711 -1.511806
H 4.849390 -0.686158 0.032571
H 4.195932 1.205905 -1.524959
H 2.638909 1.850282 -0.887449
H 2.836330 0.931336 1.735949
H 4.367496 1.532554 0.972451
H 3.852720 -1.717976 2.026657
H 1.670825 0.834245 -2.826254
H 4.691948 0.801179 3.288533


