%chk=000047302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047302

0 1
 O  -0.7581000      0.6846000     -6.0000003E-04
 O   -2.160000       2.510800     -1.9999999E-04
 N   -5.132900      -1.539300      3.9999999E-04
 C    1.630600      0.6526000      1.9999999E-04
 C    2.920500      -1.124800       1.265600    
 C    2.909700      -1.140300      -1.254500    
 C    4.165400      0.6562000     -1.0800000E-02
 C    1.660500     -0.2418000       1.262300    
 C    1.649600     -0.2572000      -1.250900    
 C    2.901800       1.534400     -1.1000000E-02
 C    2.918900      -2.013900      1.1000000E-02
 C    4.168300     -0.2263000       1.248300    
 C    4.157500     -0.2418000      -1.259000    
 C   0.3757000       1.529700      1.9999999E-04
 C   -1.974700       1.303600     -7.9999998E-04
 C   -3.078300      0.3104000     -3.0000001E-04
 C   -4.378700      0.7578000      8.9999998E-04
 C   -2.769600      -1.029800     -1.1000000E-03
 C   -5.371800     -0.2086000      1.2000001E-03
 C   -3.834500      -1.916200     -6.9999998E-04
 H    2.929600      -1.752500       2.163600    
 H    2.910900      -1.779000      -2.144800    
 H    5.057400       1.292400     -1.8600000E-02
 H   0.7731000     -0.8858000       1.306100    
 H    1.643400      0.3789000       2.167400    
 H    1.624500      0.3522000      -2.163400    
 H   0.7625000     -0.9024000      -1.279300    
 H    2.912700       2.195400      0.8653000    
 H    2.905100       2.184300     -0.8955000    
 H    3.803100      -2.663300      1.1100000E-02
 H    2.041000      -2.671600      1.8800000E-02
 H    4.189700      0.4026000       2.146800    
 H    5.074600     -0.8439000       1.270600    
 H    5.063600     -0.8596000      -1.281400    
 H    4.171100      0.3760000      -2.165400    
 H   0.3574000       2.169400     -0.8909000    
 H   0.3570000       2.169800      0.8909000    
 H   -4.641500       1.809100      1.5000000E-03
 H   -1.761100      -1.425400     -2.0999999E-03
 H   -6.420000      7.1999997E-02  2.0999999E-03
 H   -3.665400      -2.988100     -1.3000000E-03


%chk=000047302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047302

0 1
O -0.797984 0.599944 -0.001305
O -2.146673 2.501418 -0.012590
N -5.416647 -1.464669 0.013643
C 1.663857 0.600263 -0.003684
C 3.032251 -1.134314 1.270557
C 3.031537 -1.142456 -1.267708
C 4.214935 0.711081 -0.004871
C 1.724952 -0.297589 1.267870
C 1.724203 -0.305796 -1.269504
C 2.905988 1.545564 -0.007224
C 3.074309 -2.032424 0.004263
C 4.257747 -0.179919 1.266445
C 4.257022 -0.188062 -1.270484
C 0.410166 1.481050 -0.006390
C -2.026594 1.250891 -0.004702
C -3.171269 0.287080 0.001671
C -4.491384 0.801859 -0.002549
C -2.990821 -1.118270 0.011984
C -5.572309 -0.105364 0.003638
C -4.136042 -1.944785 0.017634
H 3.057475 -1.769128 2.178242
H 3.056175 -1.783085 -2.171315
H 5.083253 1.399126 -0.007320
H 0.841849 -0.964424 1.293956
H 1.681456 0.339334 2.175588
H 1.680098 0.325391 -2.181202
H 0.841088 -0.972830 -1.290786
H 2.879661 2.206823 0.883573
H 2.879121 2.200889 -0.902385
H 3.997046 -2.646673 0.005955
H 2.215168 -2.733308 0.006738
H 4.249228 0.453872 2.176037
H 5.197235 -0.767599 1.284917
H 5.196513 -0.775820 -1.285762
H 4.247933 0.439899 -2.184104
H 0.358699 2.123309 -0.906396
H 0.360335 2.131361 0.887911
H -4.650728 1.884292 -0.010447
H -1.984928 -1.544915 0.015498
H -6.606847 0.254577 0.000627
H -4.038471 -3.035994 0.025684


