%chk=000002998.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002998

0 1
 O  -0.2486000      0.6217000      -1.701300    
 O   -4.363400      -2.368800     -0.6944000    
 O   -5.811000      -1.813800       1.612900    
 N   -1.143700       2.096700     -0.1439000    
 C    4.755800     -2.6900001E-02 -0.2838000    
 C    3.605500      0.8413000      0.2340000    
 C    6.040300      0.1133000      0.5364000    
 C    2.300300      0.6453000     -0.5398000    
 C    7.131200     -0.8284000      2.1199999E-02
 C    1.169700       1.478200      6.2199999E-02
 C    8.402800     -0.7191000      0.8625000    
 C  -0.1319000       1.332800     -0.7072000    
 C    9.500400      -1.628400      0.3335000    
 C   -2.487500       2.147000     -0.6735000    
 C   -3.369300       1.092800     -6.9200002E-02
 C   -3.462100     -0.1649000     -0.6651000    
 C   -4.095800       1.371400       1.088600    
 C   -4.281200      -1.144200     -0.1033000    
 C   -4.915100      0.3920000       1.650300    
 C   -5.007700     -0.8658000       1.054500    
 C   -3.588800      -2.572100      -1.874700    
 H    4.438000      -1.077000     -0.2759000    
 H    4.960900      0.2335000      -1.329500    
 H    3.433300      0.6072000       1.292000    
 H    3.902100       1.896400      0.1876000    
 H    6.392400       1.150800      0.4927000    
 H    5.827900     -0.1129000       1.588300    
 H    2.020300     -0.4153000     -0.5305000    
 H    2.452000      0.9232000      -1.590100    
 H    6.766900      -1.862700      4.2700000E-02
 H    7.358400     -0.5874000      -1.024400    
 H   0.9910000       1.172500       1.100000    
 H    1.447400       2.539100      6.5300003E-02
 H    8.763000      0.3163000      0.8603000    
 H    8.184700     -0.9847000       1.903400    
 H    10.39980      -1.535100      0.9501000    
 H    9.765500      -1.365900     -0.6957000    
 H    9.183900      -2.676200      0.3505000    
 H  -0.9467000       2.638500      0.6927000    
 H   -2.453500       2.039200      -1.764200    
 H   -2.885700       3.146700     -0.4659000    
 H   -2.878600     -0.3238000      -1.565200    
 H   -4.030500       2.346800       1.563300    
 H   -5.475200      0.6223000       2.552700    
 H   -6.233800      -1.443200       2.406600    
 H   -3.910500      -1.912100      -2.687600    
 H   -2.515100      -2.492900      -1.672000    
 H   -3.773600      -3.598800      -2.208000    


%chk=000002998-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002998

0 1
O -0.245654 0.025621 -1.714132
O -5.035740 -2.146852 0.014773
O -6.929647 -0.676940 1.201915
N -0.966727 1.522820 -0.084499
C 5.019190 0.083340 -0.321507
C 3.667635 -0.066104 0.412834
C 6.227675 -0.372223 0.527388
C 2.463281 0.391569 -0.438310
C 7.582026 -0.217669 -0.200624
C 1.118018 0.258308 0.317104
C 8.790088 -0.666838 0.653071
C -0.078436 0.581414 -0.582044
C 10.139799 -0.508106 -0.079895
C -2.190015 1.921117 -0.813590
C -3.457644 1.270918 -0.271600
C -3.625966 -0.134689 -0.396242
C -4.467226 2.033697 0.350025
C -4.782554 -0.774692 0.095955
C -5.632690 1.401460 0.847701
C -5.799186 0.007620 0.729223
C -4.018943 -2.973047 -0.642916
H 4.990268 -0.501960 -1.263954
H 5.159824 1.143546 -0.619107
H 3.525926 -1.127464 0.706783
H 3.699697 0.516709 1.357773
H 6.251911 0.210950 1.472105
H 6.089242 -1.433790 0.821719
H 2.399975 -0.207275 -1.366289
H 2.607378 1.445599 -0.750858
H 7.562352 -0.804533 -1.142836
H 7.720315 0.842815 -0.499000
H 1.005046 -0.790914 0.656032
H 1.123167 0.894835 1.224177
H 8.808051 -0.080333 1.594585
H 8.651399 -1.726539 0.950307
H 10.986141 -0.835854 0.551624
H 10.316410 0.547545 -0.360629
H 10.159064 -1.108544 -1.009092
H -0.831625 1.876737 0.864000
H -2.017082 1.620851 -1.862928
H -2.282154 3.022476 -0.778054
H -2.839307 -0.711744 -0.893224
H -4.356089 3.119935 0.446542
H -6.418156 1.998419 1.330162
H -7.565969 -0.038297 1.610906
H -3.875298 -2.671650 -1.698518
H -3.049556 -2.919423 -0.110271
H -4.414012 -3.998223 -0.597484


