%chk=000077350.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077350

0 1
 O    5.833800      -1.661700      1.5000000E-03
 O   -5.831600      -1.660400     -1.0000000E-03
 O  -6.3999998E-03   1.464900      5.0000002E-04
 N    1.156700     -0.5690000     -1.0000000E-03
 N   -1.153100     -0.5733000      3.0000001E-04
 C    2.493400     -0.1693000     -1.6000000E-03
 C   -2.508300     -0.1663000      1.3000000E-03
 C    3.507500      -1.127000     -7.9999998E-04
 C   -3.504700      -1.128500      6.9999998E-04
 C  -7.1999999E-03  0.2381000       0.000000    
 C    2.815800       1.187900     -1.3000000E-03
 C   -2.810100       1.185600      1.0000000E-03
 C    4.844100     -0.7275000      3.9999999E-04
 C   -4.840800     -0.7274000     -1.9999999E-04
 C    4.152100       1.587300     -1.9999999E-04
 C   -4.145900       1.586700      9.9999997E-05
 C    5.166200      0.6297000      5.0000002E-04
 C   -5.161300      0.6302000     -3.0000001E-04
 H    1.001100      -1.574100     -8.9999998E-04
 H  -0.9993000      -1.578400     -9.9999997E-05
 H    3.264500      -2.187200     -6.9999998E-04
 H   -3.259500      -2.187400      6.0000003E-04
 H    2.090700       1.989100     -1.9000000E-03
 H   -2.086100       1.986400      1.3000000E-03
 H    4.404400       2.643800       0.000000    
 H   -4.397100       2.643500     -9.9999997E-05
 H    6.203400      0.9541000      1.4000000E-03
 H   -6.198000      0.9558000     -1.0000000E-03
 H    6.694600      -1.208800      2.3000001E-03
 H   -6.691900      -1.206400     -1.5000000E-03


%chk=000077350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077350

0 1
O 5.798246 -1.805228 0.000400
O -5.796856 -1.804543 -0.000338
O 0.000405 1.528064 0.000111
N 1.166184 -0.525266 -0.000005
N -1.164422 -0.525445 -0.000083
C 2.518874 -0.084002 0.000048
C -2.517147 -0.084139 -0.000108
C 3.514170 -1.096072 0.000181
C -3.512610 -1.096135 -0.000176
C 0.000660 0.264451 0.000057
C 2.897888 1.286738 0.000052
C -2.895752 1.286649 -0.000182
C 4.876709 -0.741140 0.000280
C -4.875072 -0.740881 -0.000284
C 4.270324 1.610629 0.000152
C -4.268140 1.610904 -0.000280
C 5.273992 0.617809 0.000245
C -5.271887 0.618242 -0.000317
H 1.053339 -1.541083 -0.000061
H -1.051716 -1.541290 -0.000155
H 3.251705 -2.160456 0.000229
H -3.250326 -2.160573 -0.000145
H 2.129194 2.059403 -0.000002
H -2.126737 2.059042 -0.000152
H 4.563580 2.666272 0.000152
H -4.561172 2.666593 -0.000333
H 6.336095 0.892744 0.000317
H -6.333970 0.893366 -0.000401
H 6.726080 -1.462527 0.000475
H -6.724637 -1.461725 -0.000379


