%chk=000117634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117634

0 1
 O   -4.858300     -0.8763000      3.0000001E-04
 O   -4.110600       1.187800      5.0000002E-04
 N   -1.729400       1.681000     -3.0000001E-04
 N   -3.917800     -4.9400002E-02  1.9999999E-04
 C  -0.2004000     -0.1818000       0.000000    
 C   0.8789000      0.7120000     -9.9999997E-05
 C   -1.505600      0.3533000     -9.9999997E-05
 C    2.262500      0.2679000      1.9999999E-04
 C   -2.577700     -0.5349000      9.9999997E-05
 C  -3.8999999E-03  -1.573200      1.9999999E-04
 C   0.6517000       2.080700     -8.9999998E-04
 C   -2.382600      -1.918300      3.0000001E-04
 C   -1.094200      -2.438400      1.9999999E-04
 C    2.920800      5.7100002E-02   1.208100    
 C    2.919700      5.4400001E-02  -1.207800    
 C  -0.6601000       2.509700     -1.1000000E-03
 C    4.248200     -0.3711000       1.208000    
 C    4.247200     -0.3738000      -1.207800    
 C    4.911600     -0.5867000      9.9999997E-05
 H   0.9873000      -2.018700      3.0000001E-04
 H    1.461300       2.803500     -1.2000001E-03
 H   -3.210100      -2.623300      5.0000002E-04
 H  -0.9382000      -3.512900      3.9999999E-04
 H    2.417500      0.2198000       2.158000    
 H    2.415700      0.2148000      -2.157800    
 H  -0.8993000       3.568100     -1.5000000E-03
 H    4.765500     -0.5372000       2.148500    
 H    4.763700     -0.5420000      -2.148400    
 H    5.945100     -0.9204000       0.000000    


%chk=000117634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117634

0 1
O -4.970203 -1.091617 -0.002182
O -4.430958 1.112625 0.001798
N -1.783153 1.783285 -0.000316
N -4.099643 -0.124617 0.000354
C -0.208490 -0.140105 -0.000013
C 0.912830 0.773366 -0.000029
C -1.557412 0.417108 -0.000032
C 2.326723 0.270147 -0.000019
C -2.654348 -0.528852 0.000071
C -0.010087 -1.557094 0.000085
C 0.644340 2.145711 -0.000076
C -2.423252 -1.910460 -0.000007
C -1.100204 -2.426927 0.000036
C 3.007275 0.038495 1.223494
C 3.005691 0.033816 -1.223524
C -0.710954 2.595723 -0.000313
C 4.344916 -0.417672 1.222588
C 4.343343 -0.422301 -1.222603
C 5.016495 -0.649558 -0.000003
H 1.013701 -1.944682 0.000213
H 1.462207 2.872196 -0.000106
H -3.290386 -2.575642 0.000008
H -0.946683 -3.510270 0.000096
H 2.488647 0.218531 2.171912
H 2.485851 0.210268 -2.171953
H -0.929497 3.670443 -0.000562
H 4.860399 -0.590044 2.173777
H 4.857623 -0.598242 -2.173790
H 6.053730 -1.001932 -0.000003


