%chk=000005154.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005154

1 1
 O   -4.463100       1.835700     -3.0000001E-04
 O   -6.000300     -1.3500000E-02  1.2000001E-03
 O    4.992000       1.810400     -4.3000001E-03
 O    5.913600     -0.4145000      1.2000001E-03
 N  -0.2305000       1.301700     -3.9999999E-04
 C   0.3506000      8.3400004E-02 -3.9999999E-04
 C  -0.5035000      -1.057700     -5.0000002E-04
 C   -1.928200     -0.8787000     -1.2000001E-03
 C    1.776300     -3.7700001E-02 -9.9999997E-05
 C   -2.437100      0.4388000     -1.2000001E-03
 C    2.347400      -1.344000      1.4000000E-03
 C   -1.549700       1.505900     -8.9999998E-04
 C   -3.817600      0.6328000     -8.9999998E-04
 C   0.1222000      -2.319900      3.0000001E-04
 C    1.510900      -2.460000      1.6000000E-03
 C    2.664800       1.068200     -1.8000000E-03
 C   -2.883700      -1.942900     -1.4000000E-03
 C   -4.701900     -0.4179000     -3.9999999E-04
 C    3.742200      -1.527100      2.6000000E-03
 C    4.028800      0.8486000     -1.2000001E-03
 C    4.553500     -0.4152000      1.2000001E-03
 C   0.4348000       2.603600      8.2999999E-03
 C   -4.265600      -1.719600     -8.9999998E-04
 C   -5.841700       1.417700      1.9999999E-04
 C    6.186000       1.001700     -2.0999999E-03
 H   -1.934600       2.521800     -1.7000000E-03
 H  -0.4592000      -3.238300      3.9999999E-04
 H    1.927700      -3.465800      2.4999999E-03
 H    2.479100       2.118600     -8.6000003E-03
 H   -2.558700      -2.980600     -1.5000000E-03
 H    4.182000      -2.520600      4.0000002E-03
 H   0.9771000       2.715000      0.9516000    
 H   0.9674000       2.731600     -0.9385000    
 H  -0.2680000       3.446100      2.0600000E-02
 H   -4.960800      -2.551500     -5.0000002E-04
 H   -6.332900       1.825600     -0.8907000    
 H   -6.332500       1.826700      0.8908000    
 H    6.775700       1.248200      0.8883000    
 H    6.775900       1.243900     -0.8936000    


%chk=000005154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005154

1 1
O -4.585462 1.836540 -0.284775
O -6.056378 -0.059917 -0.452569
O 5.077347 1.723479 -0.674996
O 5.994574 -0.439083 -0.186855
N -0.273940 1.435523 0.315257
C 0.358950 0.160197 0.187680
C -0.497648 -1.001326 0.190319
C -1.941153 -0.867524 0.051178
C 1.802159 0.021195 0.073454
C -2.477610 0.482286 -0.022196
C 2.364419 -1.307252 0.269070
C -1.616009 1.580108 0.176815
C -3.874147 0.635574 -0.195080
C 0.112807 -2.290714 0.336066
C 1.486706 -2.429235 0.434292
C 2.697793 1.091700 -0.290618
C -2.841624 -1.968449 -0.041169
C -4.723383 -0.470411 -0.289673
C 3.781367 -1.536992 0.225708
C 4.056631 0.825876 -0.337938
C 4.601616 -0.461262 -0.060344
C 0.452455 2.659168 0.795735
C -4.230783 -1.786744 -0.214815
C -6.027195 1.430942 -0.455847
C 6.354429 0.948736 -0.600668
H -2.019273 2.590848 0.274319
H -0.515798 -3.181059 0.394389
H 1.926487 -3.420050 0.588275
H 2.352151 2.076163 -0.598056
H -2.467797 -2.992765 0.003812
H 4.184065 -2.540229 0.383777
H 1.327058 2.363472 1.388982
H 0.766162 3.293014 -0.048547
H -0.230763 3.232722 1.439900
H -4.908220 -2.640611 -0.292361
H -6.382128 1.801541 -1.430036
H -6.603167 1.809518 0.402955
H 7.000791 1.397828 0.169263
H 6.812912 0.917696 -1.601606


