%chk=000039322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039322

0 1
 O   0.9036000      0.8635000     -0.7085000    
 O   -2.477500      -2.576600     -0.3746000    
 N   -2.636800      0.8586000     -0.1492000    
 C   -3.666200       1.744600     -0.6916000    
 C   -1.735700       1.735900      0.5977000    
 C   -3.962600       2.675900      0.4746000    
 C   -2.692700       2.672800       1.319900    
 C   -1.946900      0.1076000      -1.187500    
 C  -0.9061000     -0.7838000     -0.5998000    
 C   0.4095000     -0.3681000     -0.4018000    
 C    1.407500      -1.169600      0.1440000    
 C   -1.210300      -2.093000     -0.2158000    
 C    2.585600     -0.3673000      0.1689000    
 C    2.221300      0.8655000     -0.3634000    
 C    1.077300      -2.483900      0.5229000    
 C  -0.2380000      -2.930000      0.3361000    
 C    3.918100     -0.5496000      0.5830000    
 C    3.095200       1.940700     -0.5147000    
 C    4.820100      0.5138000      0.4428000    
 C    4.413100       1.736200     -9.6600004E-02
 C   -3.378700      -2.393300      0.7136000    
 H   -4.559400       1.195700      -1.006000    
 H   -3.294600       2.326800      -1.544700    
 H   -1.095900       2.331200     -6.5600000E-02
 H   -1.115000       1.205900       1.326300    
 H   -4.218000       3.682900      0.1297000    
 H   -4.804000       2.300100       1.068600    
 H   -2.919000       2.300100       2.325900    
 H   -2.271100       3.678000       1.421500    
 H   -1.479200      0.7808000      -1.919500    
 H   -2.667100     -0.4878000      -1.763000    
 H    1.821800      -3.147000      0.9532000    
 H  -0.4966000      -3.945300      0.6279000    
 H    4.250000      -1.493800       1.004400    
 H    2.772200       2.886200     -0.9340000    
 H    5.851800      0.3841000      0.7594000    
 H    5.134400       2.544000     -0.1934000    
 H   -3.134800      -1.513100       1.317100    
 H   -3.356500      -3.283200       1.349800    
 H   -4.388000      -2.275700      0.3099000    


%chk=000039322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039322

0 1
O 1.023355 0.905107 -0.682258
O -2.440800 -2.612619 -0.334714
N -2.685422 0.916211 -0.116555
C -3.786894 1.719512 -0.714436
C -1.926658 1.883499 0.725360
C -4.277309 2.602187 0.462205
C -3.039812 2.709906 1.419789
C -1.877234 0.184773 -1.129093
C -0.844887 -0.745049 -0.518512
C 0.501958 -0.379031 -0.351958
C 1.528209 -1.231092 0.150841
C -1.144050 -2.086513 -0.138071
C 2.759511 -0.444194 0.141049
C 2.407683 0.839191 -0.371238
C 1.190114 -2.555892 0.510060
C -0.148478 -2.970824 0.361932
C 4.104658 -0.685165 0.505118
C 3.318756 1.888603 -0.538336
C 5.045548 0.357239 0.347213
C 4.659292 1.625649 -0.166749
C -3.447006 -2.200542 0.677463
H -4.572472 1.057818 -1.122515
H -3.414113 2.363759 -1.551667
H -1.279459 2.542218 0.095563
H -1.270442 1.351316 1.434973
H -4.620568 3.588840 0.105554
H -5.123821 2.120326 0.980791
H -3.281449 2.282495 2.408026
H -2.720500 3.754798 1.577008
H -1.361229 0.898712 -1.816353
H -2.577468 -0.424607 -1.729678
H 1.946742 -3.249263 0.891210
H -0.455562 -3.990784 0.612789
H 4.414916 -1.657689 0.901703
H 3.006954 2.858323 -0.935707
H 6.091600 0.188271 0.624450
H 5.410953 2.414493 -0.278222
H -3.496703 -1.095602 0.737998
H -3.185639 -2.630441 1.664775
H -4.401475 -2.624139 0.327691


