%chk=000047748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047748

0 1
 O    1.607000      -2.674500     -1.6000000E-03
 O    1.787300       2.821400      3.0300001E-02
 O   -4.013400       1.195400     -1.8300001E-02
 N    1.667900      -1.283200      5.1000002E-03
 N    1.766900       1.547100      2.0700000E-02
 N   -1.881000     -0.2412000      1.4900000E-02
 N   -2.953100     -0.8773000      2.9600000E-02
 N   -7.460300      0.7540000     -6.7699999E-02
 C    2.927400     -0.6342000     -6.8000001E-03
 C    2.996900      0.7712000      6.0000003E-04
 C   0.4920000     -0.5619000      2.1900000E-02
 C    4.130100      -1.357500     -2.6300000E-02
 C   0.6213000      0.9111000      2.9999999E-02
 C    4.230200       1.433800     -1.0900000E-02
 C    5.361200     -0.6977000     -3.7500001E-02
 C    5.410700      0.6941000     -2.9800000E-02
 C  -0.7666000      -1.023200      3.2499999E-02
 C   -4.046900     -3.3599999E-02  1.0300000E-02
 C   -5.350700     -0.8093000      2.8200001E-02
 C   -6.527100      6.5499999E-02 -2.5200000E-02
 H    4.127000      -2.444700     -3.2800000E-02
 H  -0.2816000       1.542000      4.6500001E-02
 H    4.293000       2.518100     -5.4000001E-03
 H    6.282800      -1.272700     -5.2499998E-02
 H    6.370200       1.203000     -3.8699999E-02
 H  -0.9255000      -2.100300      3.3700000E-02
 H    1.621300      -2.880500      0.9491000    
 H   -5.378100      -1.411200      0.9432000    
 H   -5.357500      -1.488900     -0.8310000    


%chk=000047748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047748

0 1
O 1.609029 -2.601605 0.149431
O 1.980912 2.926471 -0.088182
O -4.171351 1.123836 0.738869
N 1.692808 -1.170858 0.169080
N 1.861759 1.613999 -0.025737
N -1.856647 -0.252923 0.136446
N -3.020064 -0.906160 0.117037
N -7.679607 0.588243 -0.074651
C 2.972722 -0.609314 0.050077
C 3.073280 0.810573 -0.034366
C 0.510717 -0.428509 0.097861
C 4.151733 -1.393543 0.026773
C 0.651806 0.996020 0.031058
C 4.326181 1.445669 -0.128895
C 5.401119 -0.752076 -0.068905
C 5.495104 0.662240 -0.143652
C -0.754836 -1.060726 0.125333
C -4.158519 -0.033384 0.256288
C -5.418959 -0.806844 -0.192429
C -6.660181 -0.027792 -0.123396
H 4.073279 -2.481918 0.063252
H -0.243307 1.617414 0.018466
H 4.343696 2.536976 -0.188920
H 6.311497 -1.359690 -0.090596
H 6.474231 1.144191 -0.217142
H -0.842895 -2.155471 0.106989
H 1.389430 -2.873699 1.087461
H -5.505584 -1.712220 0.438447
H -5.255950 -1.174101 -1.223896


