%chk=000052975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052975

0 1
 O   -2.756100       2.485100      0.9623000    
 O   -4.632000       1.574100     -0.8710000    
 N    5.167500       1.123100     -0.7374000    
 N   -1.268500      -3.479100     -0.7853000    
 C   0.6296000      -1.348000       1.649200    
 C  -0.4283000      -1.741100      0.6721000    
 C   -1.474900     -0.8895000      0.3001000    
 C    1.837600     -0.6903000       1.013800    
 C   -2.430100      -1.348100     -0.6305000    
 C   -1.601300      0.4064000      0.8268000    
 C  -0.3731000      -3.006300      0.1078000    
 C    1.853200      0.6842000      0.8604000    
 C    2.896100      -1.479800      0.6019000    
 C   -3.488600     -0.5090000      -1.016200    
 C    4.042600      0.5107000     -0.1465000    
 C   -2.657200       1.231900      0.4362000    
 C   -3.598800      0.7751000     -0.4831000    
 C   -2.271900      -2.641600      -1.131700    
 C    2.965300       1.289900      0.2753000    
 C    4.008000     -0.8741000      1.6899999E-02
 C    6.485300      0.5390000     -0.5855000    
 C    5.022300       2.351700      -1.492300    
 C   -2.094800       3.535900      0.2607000    
 C   -5.832000       1.499700     -0.1040000    
 H   0.9668000      -2.243200       2.193200    
 H   0.2350000     -0.7209000       2.457700    
 H  -0.9312000      0.7970000       1.582300    
 H   0.4163000      -3.707500      0.3614000    
 H    1.049700       1.320500       1.206900    
 H    2.878300      -2.558800      0.7228000    
 H   -4.228500     -0.8563000      -1.734600    
 H   -2.972200      -3.056500      -1.851500    
 H    2.968800       2.372100      0.1797000    
 H    4.825100      -1.510300     -0.3113000    
 H    6.651600      0.1849000      0.4382000    
 H    7.270300       1.274200     -0.7957000    
 H    6.622100     -0.2959000      -1.280700    
 H    4.956400       3.214300     -0.8209000    
 H    4.133700       2.326700      -2.133100    
 H    5.881700       2.513200      -2.152800    
 H   -2.270200       4.471000      0.7995000    
 H   -2.496300       3.635300     -0.7526000    
 H   -1.016500       3.351300      0.2215000    
 H   -6.252000      0.4898000     -0.1464000    
 H   -6.556200       2.198000     -0.5323000    
 H   -5.643400       1.785100      0.9357000    


%chk=000052975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052975

0 1
O -2.302827 2.463987 0.304686
O -4.388451 1.278878 -1.335317
N 4.924544 1.462742 -0.656755
N -1.507183 -3.986264 0.022535
C 0.696112 -1.533954 1.999381
C -0.421049 -2.041668 1.098997
C -1.387367 -1.153883 0.496467
C 1.786614 -0.730396 1.282154
C -2.412747 -1.735999 -0.344709
C -1.379112 0.265866 0.677764
C -0.538269 -3.412598 0.830084
C 2.311074 0.458457 1.845165
C 2.337716 -1.165228 0.051011
C -3.408824 -0.896344 -0.935456
C 3.900282 0.746727 -0.022075
C -2.346548 1.070912 0.076982
C -3.398499 0.480019 -0.719898
C -2.406576 -3.158180 -0.539542
C 3.342415 1.187110 1.219599
C 3.367390 -0.453802 -0.592173
C 5.478680 0.979530 -1.925532
C 5.451749 2.686039 -0.044086
C -2.049848 3.282028 -0.906903
C -5.294375 1.977046 -0.390889
H 1.154922 -2.412189 2.496900
H 0.271706 -0.910518 2.811294
H -0.593500 0.752780 1.261311
H 0.171053 -4.121058 1.274882
H 1.909163 0.826331 2.798990
H 1.950169 -2.076864 -0.420222
H -4.203572 -1.328724 -1.553099
H -3.171124 -3.622737 -1.175813
H 3.710058 2.098865 1.699122
H 3.755103 -0.834248 -1.541669
H 5.930726 -0.028945 -1.823568
H 6.266684 1.668821 -2.268439
H 4.706327 0.925301 -2.720580
H 5.892745 2.492819 0.956164
H 4.665534 3.460127 0.077204
H 6.242488 3.106448 -0.685626
H -2.094291 4.327665 -0.566786
H -2.816241 3.090614 -1.679078
H -1.043416 3.057369 -1.307135
H -5.888039 1.237228 0.178736
H -5.959716 2.586259 -1.021152
H -4.722480 2.617528 0.304074


