%chk=000086387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086387

0 1
 O   -3.469900      -2.864400     -5.0000002E-04
 O   -1.361900      -3.477500     -6.9999998E-04
 O    5.849900     -0.6553000      9.9999997E-05
 O    4.299300      -2.209200      5.0000002E-04
 N   -2.250600      -2.602600     -3.0000001E-04
 N    4.648700      -1.007200      9.9999997E-05
 C  -7.8299999E-02  0.4378000     -1.9999999E-04
 C    1.314100      0.7339000     -1.9999999E-04
 C   -1.047100       1.476600     -1.9999999E-04
 C  -0.4869000     -0.9134000       0.000000    
 C    2.271200     -0.3101000     -1.9999999E-04
 C   -2.445600       1.141000       0.000000    
 C    1.755200       2.074700     -1.9999999E-04
 C   -2.827500     -0.2236000      9.9999997E-05
 C   -1.849500      -1.223600      9.9999997E-05
 C  -0.5586000       2.803300     -1.9999999E-04
 C   0.4731000      -1.934500      1.9999999E-04
 C    1.834600      -1.637800      1.9999999E-04
 C   0.8074000       3.097600     -3.9999999E-04
 C    3.639100      3.0000001E-04  1.9999999E-04
 C    3.129300       2.357700     -9.9999997E-05
 C   -3.495300       2.094900       0.000000    
 C    4.064500       1.326200      1.9999999E-04
 C   -4.185900     -0.5860000      3.0000001E-04
 C   -4.842000       1.721500      3.9999999E-04
 C   -5.187500      0.3796000      6.9999998E-04
 H   -1.237000       3.652800     -9.9999997E-05
 H   0.4139000      -3.006000      1.6000000E-03
 H    2.406300      -2.548100      7.9999998E-04
 H    1.116200       4.141000     -3.9999999E-04
 H    3.482600       3.386800     -9.9999997E-05
 H   -3.285900       3.161400     -1.9999999E-04
 H    5.115000       1.606000      3.0000001E-04
 H   -4.715500      -1.518800      1.2000001E-03
 H   -5.615600       2.483800      3.9999999E-04
 H   -6.235200      9.1799997E-02  1.1000000E-03


%chk=000086387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086387

0 1
O -3.143194 -3.071867 0.948138
O -1.889430 -3.473203 -0.913504
O 6.034773 -0.464023 0.056085
O 4.601610 -2.220527 0.017807
N -2.336253 -2.690767 0.013064
N 4.833229 -0.947446 0.032798
C -0.083129 0.385780 -0.008793
C 1.330743 0.691546 0.002807
C -1.059149 1.440951 -0.008735
C -0.515667 -1.000547 -0.018761
C 2.323246 -0.369315 0.011624
C -2.479804 1.127093 -0.009178
C 1.748350 2.071241 0.005511
C -2.913394 -0.256266 0.012885
C -1.902215 -1.273854 0.002145
C -0.594992 2.803464 -0.005373
C 0.496034 -2.032165 -0.005111
C 1.843242 -1.737214 0.014562
C 0.755409 3.107632 0.000248
C 3.703132 0.020138 0.022598
C 3.136229 2.392259 0.014873
C -3.485948 2.147019 -0.039854
C 4.098275 1.383983 0.023800
C -4.319036 -0.554245 0.003177
C -4.845715 1.832480 -0.049715
C -5.264352 0.468567 -0.031321
H -1.315422 3.623974 -0.004530
H 0.191020 -3.080504 -0.019940
H 2.573408 -2.544070 0.026439
H 1.086996 4.151660 0.003525
H 3.443117 3.443294 0.015040
H -3.195978 3.200172 -0.061155
H 5.166103 1.611387 0.032074
H -4.652535 -1.593328 0.035652
H -5.592681 2.632585 -0.074337
H -6.331422 0.224714 -0.040043


