%chk=000042607.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042607

0 1
 O  -0.5087000     -0.1417000     -0.9194000    
 O    5.961000      0.3363000     -0.7695000    
 N   -4.619000      -1.423400      -1.028300    
 N   0.8089000     -0.8974000      0.8706000    
 C   -2.867600      -1.004000      0.2694000    
 C   -3.729500      0.1277000      0.3060000    
 C   -4.820500     -0.1614000     -0.5165000    
 C   -1.585400      -1.157100      0.9865000    
 C   -3.441400      -1.940700     -0.5590000    
 C   -3.686000       1.374100      0.9617000    
 C   -5.874500      0.7372000     -0.7166000    
 C  -0.3798000     -0.6657000      0.1824000    
 C   -4.733100       2.283000      0.7709000    
 C   -5.809600       1.967300     -5.5799998E-02
 C    2.123800     -0.5833000      0.4523000    
 C    3.190400     -0.8926000       1.279600    
 C    2.315500      2.8400000E-02 -0.7755000    
 C    4.696700      3.4600001E-02 -0.3664000    
 C    4.486100     -0.5814000      0.8674000    
 C    3.611300      0.3395000      -1.187800    
 C    6.915100      0.6300000      0.2500000    
 C    7.946500       1.590800     -0.3019000    
 H   -1.608500     -0.6077000       1.935400    
 H   -1.421000      -2.213600       1.234500    
 H   -3.118900      -2.928300     -0.8582000    
 H   -5.249600      -1.898500      -1.659300    
 H   -2.853700       1.636900       1.608400    
 H   -6.712900      0.4924000      -1.360100    
 H   -4.704700       3.245900       1.273800    
 H   -6.612100       2.688100     -0.1898000    
 H   0.7402000      -1.343900       1.782700    
 H    3.037400      -1.377700       2.239600    
 H    1.530300      0.2960000      -1.466600    
 H    5.304600     -0.8608000       1.524200    
 H    3.770500      0.8193000      -2.149800    
 H    6.449000       1.111700       1.118700    
 H    7.404100     -0.2988000      0.5637000    
 H    8.701900       1.830200      0.4518000    
 H    8.445100       1.160300      -1.176600    
 H    7.470400       2.519800     -0.6328000    


%chk=000042607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042607

0 1
O 0.187770 -3.453213 0.671939
O 5.508356 0.449923 0.064401
N -3.915259 0.263762 -1.550055
N 0.103912 -1.246145 -0.136641
C -2.729198 -1.303129 -0.374383
C -3.056655 -0.196430 0.516703
C -3.799694 0.770830 -0.248958
C -1.989730 -2.565237 -0.014014
C -3.273483 -0.980189 -1.620210
C -2.793737 0.066041 1.888321
C -4.279751 1.975003 0.312407
C -0.459671 -2.462008 0.215405
C -3.271341 1.263421 2.454247
C -4.005476 2.207447 1.675254
C 1.468543 -0.840579 -0.072324
C 1.780513 0.489161 -0.450265
C 2.518098 -1.706540 0.346096
C 4.149764 0.095163 -0.005663
C 3.109000 0.962900 -0.421138
C 3.841478 -1.233984 0.375630
C 5.876861 1.824148 -0.322420
C 7.390514 1.938505 -0.161041
H -2.395992 -3.011279 0.913341
H -2.125628 -3.333306 -0.798590
H -3.257588 -1.553668 -2.545736
H -4.397953 0.720546 -2.320467
H -2.227443 -0.649143 2.495293
H -4.845042 2.702927 -0.280220
H -3.077663 1.479877 3.510453
H -4.362454 3.129982 2.146318
H -0.563237 -0.542763 -0.471951
H 0.978098 1.167820 -0.767126
H 2.278721 -2.729436 0.642273
H 3.312309 1.995542 -0.718525
H 4.658850 -1.887934 0.695085
H 5.569641 2.008384 -1.373220
H 5.347183 2.548307 0.331415
H 7.727612 2.954168 -0.437741
H 7.685668 1.743671 0.884087
H 7.906405 1.208954 -0.808280


