%chk=000127221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127221

0 1
 O  -0.9677000      -1.271000      0.1190000    
 O    1.342500      -1.495300     -0.1191000    
 O   -3.714500      -3.693100      6.9700003E-02
 O   -1.420100      -5.297600      0.7890000    
 O    1.008000      -4.275200     -0.5299000    
 O   -3.056600      0.4733000     -0.2685000    
 O   -4.808600       1.397800      0.9108000    
 O    4.543100       2.658700       1.552300    
 O    1.421400       2.838500      0.2323000    
 O   -3.916800       5.012600      -1.118800    
 O   -5.301100       4.041400      0.4014000    
 N    5.380700      0.1096000     -0.9187000    
 C   -2.447100      -3.162700      0.4486000    
 C   -1.342800      -4.115700     -9.3999999E-03
 C   -2.267900      -1.780200     -0.1831000    
 C   3.8400002E-02  -3.481100      0.1531000    
 C   7.4900001E-02  -2.070400     -0.4347000    
 C   -3.288800     -0.7795000      0.3491000    
 C    1.645300     -0.4094000     -0.9809000    
 C    2.983800      0.1552000     -0.6056000    
 C    3.118000       1.174800      0.3303000    
 C   -3.896200       1.495500      0.1024000    
 C    4.135900     -0.3387000      -1.196200    
 C    4.382300       1.662400      0.6423000    
 C    1.910300       1.747000       1.000000    
 C   -3.519600       2.747800     -0.6509000    
 C    5.471800       1.101100     -4.1999999E-03
 C    6.852000       1.588200      0.2936000    
 C   -4.360500       3.966200     -0.3740000    
 H   -2.438100      -3.087300       1.542800    
 H   -1.507700      -4.435700      -1.045000    
 H   -2.378300      -1.828200      -1.275100    
 H   0.3314000      -3.463700       1.209600    
 H  -3.6499999E-02  -2.121600      -1.527000    
 H   -3.168900     -0.6632000       1.433200    
 H   -4.308900      -1.114300      0.1294000    
 H   -3.737900      -3.751200     -0.9007000    
 H   -1.260100      -5.048200       1.715100    
 H   0.7666000      -4.302500      -1.471500    
 H   0.8572000      0.3513000     -0.9562000    
 H    1.690000     -0.7690000      -2.017600    
 H    4.097800      -1.136100      -1.932100    
 H    2.152400       2.113200       2.004100    
 H    1.112500       1.010800       1.139100    
 H   -2.484000       2.991900     -0.3893000    
 H   -3.599200       2.526500      -1.720900    
 H    6.952200       2.649100      4.2800002E-02
 H    7.592400       1.040800     -0.3004000    
 H    7.100200       1.432300       1.348300    
 H    5.478500       2.889000       1.662200    
 H   0.6405000       3.186600      0.6957000    
 H   -4.443100       5.824700     -0.9579000    


%chk=000127221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127221

0 1
O -0.844173 -1.400826 0.045413
O 1.392910 -1.853061 -0.569475
O -3.789870 -3.634716 0.510348
O -1.585546 -5.453690 0.815962
O 0.803725 -4.720166 -0.639088
O -3.172595 0.414204 -0.293259
O -2.422007 1.860660 1.390295
O 3.093070 2.939562 1.558581
O 0.197886 1.942542 -0.750734
O -3.342666 4.861810 -0.089084
O -1.108353 4.392631 -0.448173
N 5.122864 0.730656 -0.641427
C -2.401586 -3.200999 0.668641
C -1.437261 -4.218925 0.040171
C -2.253929 -1.834802 -0.041800
C 0.005695 -3.700742 0.049853
C 0.057990 -2.340010 -0.666726
C -3.108821 -0.761375 0.617688
C 1.699072 -0.708927 -1.502559
C 2.748979 0.162360 -0.859944
C 2.387905 1.175804 0.071431
C -2.756670 1.644509 0.208984
C 4.113879 -0.010132 -1.183630
C 3.439258 1.938622 0.631816
C 0.933771 1.432704 0.430927
C -2.818373 2.670310 -0.925741
C 4.796693 1.698050 0.263508
C 5.926270 2.513460 0.860077
C -2.307888 4.024014 -0.479308
H -2.142561 -3.096672 1.744483
H -1.734956 -4.399505 -1.017163
H -2.557372 -1.949763 -1.105356
H 0.361330 -3.550048 1.090035
H -0.284186 -2.426816 -1.726590
H -2.684665 -0.446503 1.587176
H -4.138989 -1.132134 0.740649
H -3.837987 -4.579443 0.810827
H -0.912104 -6.101762 0.484994
H 1.746591 -4.414526 -0.646663
H 0.773888 -0.135486 -1.683722
H 2.071765 -1.146336 -2.448594
H 4.419811 -0.776148 -1.906253
H 0.861904 2.140519 1.272780
H 0.439658 0.487268 0.708569
H -2.184402 2.287554 -1.741382
H -3.859375 2.750381 -1.278730
H 5.840267 3.591698 0.615520
H 6.876518 2.148835 0.441699
H 5.980034 2.413191 1.963198
H 3.899868 3.412223 1.881402
H 0.076905 2.930452 -0.674829
H -2.973072 5.724892 0.243703


