%chk=000049643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049643

0 1
 O  -0.4603000      0.3667000      3.3000000E-03
 O    1.036400       1.141600      -1.576600    
 N   -5.917800       1.260400      0.3424000    
 C    1.813900      0.2773000      0.5276000    
 C    2.344000      -1.130500      0.3178000    
 C    3.079500       1.106400      0.3967000    
 C    3.740300      -1.103400      0.1001000    
 C    4.192100      0.2707000      0.1484000    
 C   0.7803000      0.6529000     -0.4844000    
 C    1.640800      -2.323900      0.3360000    
 C    3.220400       2.480100      0.5054000    
 C    4.443500      -2.278200     -0.1105000    
 C    5.458800      0.8105000     -2.4999999E-03
 C    2.350000      -3.507400      0.1236000    
 C    4.497200       3.023300      0.3529000    
 C    3.737300      -3.484700     -9.8200001E-02
 C    5.605100       2.197100      0.1005000    
 C   -1.551100      0.6790000     -0.8690000    
 C   -2.855500      0.3020000     -0.1807000    
 C   -4.064100      0.5964000      -1.067400    
 C   -5.359700      0.2661000     -0.3716000    
 C   -5.880600      -1.003300     -0.5058000    
 C   -7.076800      -1.275800      0.1484000    
 C   -7.079600      0.9583000      0.9642000    
 C   -7.694100     -0.2817000      0.8995000    
 H    1.431300      0.3920000       1.548600    
 H   0.5708000      -2.346700      0.5107000    
 H    2.367700       3.120400      0.7029000    
 H    5.515000      -2.277300     -0.2803000    
 H    6.324500      0.1856000     -0.1948000    
 H    1.824600      -4.458800      0.1310000    
 H    4.637900       4.098100      0.4312000    
 H    4.268000      -4.419300     -0.2605000    
 H    6.589600       2.643300     -1.4000000E-02
 H   -1.440000      0.1133000      -1.801500    
 H   -1.539200       1.752100      -1.092900    
 H   -2.828200     -0.7608000      9.2600003E-02
 H   -2.933600      0.8457000      0.7698000    
 H   -4.072500       1.659400      -1.340500    
 H   -3.992500      3.9600000E-02  -2.010100    
 H   -5.388800      -1.770800      -1.093000    
 H   -7.527000      -2.261100      7.3600002E-02
 H   -7.520400       1.767500       1.537000    
 H   -8.626800     -0.4718000       1.418000    


%chk=000049643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049643

0 1
O -0.431507 0.538598 -0.052044
O 0.986156 1.584613 -1.579752
N -5.666983 0.763244 0.727267
C 1.894274 0.556840 0.507523
C 2.266611 -0.931948 0.389725
C 3.240905 1.252630 0.334393
C 3.676057 -1.061466 0.208902
C 4.277602 0.285503 0.181071
C 0.822039 0.970246 -0.505847
C 1.436969 -2.062721 0.456760
C 3.532993 2.625754 0.330616
C 4.261785 -2.341299 0.096434
C 5.620990 0.694062 0.034132
C 2.028743 -3.346565 0.341896
C 4.881475 3.036135 0.181754
C 3.427983 -3.482237 0.163448
C 5.915357 2.077353 0.037581
C -1.587191 0.821263 -0.957252
C -2.831543 0.246390 -0.282597
C -4.100447 0.500135 -1.140284
C -5.364282 0.068854 -0.417213
C -6.181373 -0.990812 -0.886973
C -7.340832 -1.345776 -0.160754
C -6.787574 0.410275 1.418623
C -7.654674 -0.632756 1.018013
H 1.469840 0.749554 1.513109
H 0.356274 -1.952200 0.593907
H 2.737024 3.371923 0.427643
H 5.342989 -2.454523 -0.040807
H 6.424293 -0.041949 -0.082856
H 1.399149 -4.241941 0.392331
H 5.127521 4.103737 0.173578
H 3.867542 -4.482313 0.076410
H 6.952020 2.413802 -0.076379
H -1.382029 0.357901 -1.940395
H -1.659124 1.915667 -1.100161
H -2.696251 -0.839290 -0.117386
H -2.975930 0.717478 0.705846
H -4.173448 1.584766 -1.353915
H -4.021783 -0.025919 -2.110280
H -5.910997 -1.522511 -1.805491
H -7.985366 -2.160429 -0.508228
H -6.991940 0.992924 2.324771
H -8.542917 -0.872692 1.610782


