%chk=000094577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094577

0 1
 O   -2.116900       2.564700      7.9999998E-04
 O  -0.2372000       4.045000      1.9999999E-04
 O    3.964900       1.155600     -1.6000000E-03
 O    4.442600      -1.397400     -5.0000002E-04
 N    2.155600      -1.902400      9.9999997E-05
 C   0.5484000     -2.2399999E-02  6.0000003E-04
 C  -0.8027000      0.4587000      6.9999998E-04
 C   0.8068000      -1.406800      3.9999999E-04
 C    1.618000      0.9048000      5.0000002E-04
 C   -1.900200     -0.4866000      3.9999999E-04
 C  -0.9420000       1.864400      6.9999998E-04
 C   -1.603400      -1.868300      9.9999997E-05
 C  -0.2743000      -2.300000      1.9999999E-04
 C   0.1285000       2.734200      3.9999999E-04
 C    1.422500       2.287100      5.0000002E-04
 C    2.997400      0.4080000      1.9999999E-04
 C    3.262900      -1.061600      3.0000001E-04
 C   -3.282300     -0.1517000       0.000000    
 C   -2.629800      -2.831300     -1.9999999E-04
 C   -1.666700       3.928800     -2.0999999E-03
 C    2.371900      -3.347700     -3.9999999E-04
 C   -4.295500      -1.115700     -6.0000003E-04
 C   -3.968500      -2.459400     -6.0000003E-04
 H  -0.1004000      -3.374400      9.9999997E-05
 H    2.247100       2.991400      3.9999999E-04
 H   -3.618100      0.8794000       0.000000    
 H   -2.391400      -3.893900     -3.9999999E-04
 H   -2.064200       4.432800      0.8862000    
 H   -2.061200       4.428100     -0.8944000    
 H    3.440000      -3.585000     -6.0000003E-04
 H    1.935400      -3.785800     -0.9034000    
 H    1.935600      -3.786500      0.9024000    
 H   -5.336900     -0.8073000     -1.0000000E-03
 H   -4.747400      -3.215200     -1.0000000E-03


%chk=000094577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094577

0 1
O -2.167793 2.578930 -0.000290
O -0.310503 4.087960 0.000310
O 4.053286 1.207971 -0.001216
O 4.475840 -1.563068 -0.000437
N 2.164137 -1.924541 -0.000019
C 0.567043 -0.020656 0.000693
C -0.808909 0.444319 0.000287
C 0.826591 -1.452023 0.000528
C 1.662518 0.903614 0.001105
C -1.923054 -0.499987 0.000157
C -0.956974 1.851993 -0.000084
C -1.609736 -1.906028 0.000117
C -0.241990 -2.346610 0.000230
C 0.134226 2.745067 0.000100
C 1.452094 2.308757 0.000696
C 3.059498 0.424250 0.002443
C 3.306872 -1.088340 -0.000030
C -3.296281 -0.106779 0.000007
C -2.669674 -2.865099 -0.000127
C -1.788841 4.024417 -0.002641
C 2.416116 -3.383271 -0.000885
C -4.319786 -1.067458 -0.000204
C -4.007903 -2.455998 -0.000271
H -0.064367 -3.424755 -0.000009
H 2.310687 2.984346 0.001132
H -3.552049 0.953774 0.000068
H -2.417481 -3.931829 -0.000187
H -2.179266 4.491855 0.916560
H -2.175510 4.487838 -0.925542
H 3.506323 -3.525190 -0.001311
H 1.986025 -3.852744 -0.903164
H 1.986619 -3.853768 0.901146
H -5.366425 -0.744874 -0.000316
H -4.812835 -3.198475 -0.000446


