%chk=000056762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056762

0 1
 O    1.356400      -3.296200      0.9717000    
 O   -1.305700      -1.132100     -8.3300002E-02
 O  -0.9910000      -2.377300       1.830200    
 N   -4.417700      0.8466000     -7.0699997E-02
 C    3.381600       1.448900       1.641900    
 C    2.868700      0.6179000      0.4921000    
 C    3.947400       2.798900       1.205000    
 C    4.886200       2.623800      1.8300001E-02
 C    4.129000       2.060300      -1.182700    
 C    3.253600      0.8820000     -0.8354000    
 C    1.566800      -1.286600     -0.2725000    
 C    2.034800     -0.4778000      0.7624000    
 C   0.6764000      -2.444100      2.9999999E-02
 C    2.767300      6.6900000E-02  -1.868600    
 C    1.931000      -1.013100      -1.587700    
 C   0.2847000      -3.362700      -1.153800    
 C  -0.6290000      -2.006500      0.7202000    
 C   -3.153000      0.3218000     -0.5637000    
 C   -2.534800     -0.6287000      0.4490000    
 C   -5.034600       1.729900      -1.063300    
 C   -4.224400       1.563000       1.192500    
 C   -5.245700       1.009000      -2.383800    
 C   -5.548100       2.056100       1.752000    
 H    4.166200      0.8755000       2.151500    
 H    2.576000       1.623100       2.365200    
 H    4.479000       3.263400       2.043000    
 H    3.128600       3.475400      0.9288000    
 H    5.339800       3.584400     -0.2505000    
 H    5.705100       1.947500      0.2947000    
 H    3.489700       2.844300      -1.607700    
 H    4.855000       1.771900      -1.952200    
 H    1.755400     -0.6912000       1.792200    
 H    3.040000      0.2718000      -2.901100    
 H    1.588400      -1.609600      -2.426400    
 H  -0.3525000      -4.187000     -0.8098000    
 H  -0.2721000      -2.826600      -1.930100    
 H    1.170300      -3.825800      -1.604300    
 H   -3.279800     -0.2620000      -1.482200    
 H   -2.440300       1.122300     -0.8044000    
 H   -2.272300     -0.1276000       1.384200    
 H   -3.210500      -1.467400      0.6561000    
 H   0.7979000      -4.074800       1.138300    
 H   -4.439600       2.636600      -1.230400    
 H   -6.031000       2.042400     -0.7346000    
 H   -3.525700       2.402300       1.087800    
 H   -3.835800      0.9007000       1.970200    
 H   -5.915400       1.599700      -3.019400    
 H   -5.713600      2.8500000E-02  -2.243000    
 H   -4.315600      0.8847000      -2.947100    
 H   -5.934300       2.924600       1.209600    
 H   -6.308900       1.268000       1.751300    
 H   -5.411200       2.375500       2.791600    


%chk=000056762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056762

0 1
O 1.154476 -3.037663 1.001252
O -1.570007 -1.001997 -0.304452
O -1.075557 -1.775389 1.832047
N -4.808407 0.874233 -0.523439
C 4.981774 0.241339 1.364944
C 3.657695 0.304670 0.606041
C 5.646084 1.624289 1.543590
C 5.660923 2.388508 0.200810
C 4.216203 2.660271 -0.275709
C 3.313710 1.431101 -0.191556
C 1.541941 -0.806290 -0.024509
C 2.765713 -0.795069 0.676443
C 0.618404 -2.048954 0.061015
C 2.085573 1.410714 -0.901159
C 1.204560 0.314511 -0.826655
C 0.492305 -2.755712 -1.303725
C -0.755018 -1.605843 0.627924
C -3.540207 0.254131 -0.977181
C -2.890266 -0.490024 0.194359
C -5.896178 0.815806 -1.535550
C -4.610078 2.229718 0.060533
C -6.499941 -0.593503 -1.683619
C -5.694587 2.610311 1.085961
H 5.678686 -0.421043 0.809179
H 4.822372 -0.240991 2.348402
H 6.674464 1.498981 1.932166
H 5.084685 2.217921 2.293135
H 6.208689 3.344737 0.301055
H 6.199148 1.782266 -0.555496
H 3.779694 3.465736 0.352273
H 4.218821 3.049291 -1.312574
H 3.025040 -1.673990 1.276660
H 1.817616 2.274783 -1.523270
H 0.259521 0.332081 -1.380255
H -0.190526 -3.618615 -1.225800
H 0.119737 -2.064325 -2.075774
H 1.490264 -3.121556 -1.597416
H -3.747868 -0.468362 -1.785751
H -2.821658 1.001560 -1.388711
H -2.706122 0.164953 1.064035
H -3.504543 -1.345472 0.522087
H 0.724777 -2.866850 1.885654
H -5.546819 1.186224 -2.532553
H -6.694376 1.506183 -1.208444
H -4.553066 3.009898 -0.740286
H -3.628040 2.237385 0.569992
H -7.317439 -0.587421 -2.428474
H -6.903906 -0.936680 -0.715415
H -5.748805 -1.331515 -2.019998
H -6.701372 2.638670 0.631615
H -5.714658 1.875633 1.909495
H -5.490731 3.611960 1.508206


