%chk=000048493.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048493

1 1
 O  -0.2817000      -3.066900     -0.4141000    
 O  -0.2511000       3.063200     -0.4298000    
 O   -2.330500      -2.981800      -1.488500    
 O   -2.309400       3.004100      -1.487700    
 N    3.372400     -1.2200000E-02   1.189700    
 N   -2.412900      1.4300000E-02   1.836400    
 C   -1.203900      5.2000000E-03 -0.7239000    
 C    2.501200     -9.3000000E-03  3.5700001E-02
 C   0.2868000     -1.6000000E-03 -0.9077000    
 C   -1.646600      -1.271100      2.6000000E-03
 C   -1.635700       1.285200     -1.5000000E-03
 C    1.116900     -3.0000000E-03  0.2068000    
 C    4.714000     -0.7422000      0.8959000    
 C    2.708800     -0.7116000       2.410300    
 C    3.786600       1.400300       1.710200    
 C   -2.205200      -1.216900       1.233400    
 C   -2.184200       1.240500       1.233400    
 C    3.045000     -1.3900000E-02  -1.248800    
 C   0.8204000     -6.0999999E-03  -2.190900    
 C    2.204600     -1.2300000E-02  -2.362100    
 C   -1.486900      -2.536100     -0.7327000    
 C   -1.465400       2.547600     -0.7389000    
 C   -2.637000      -2.404100       2.051100    
 C   -2.593000       2.436100       2.050500    
 C   2.3000000E-02  -4.309500      -1.055800    
 C   6.3900001E-02   4.302200      -1.073700    
 H   -1.709300      5.5999998E-03  -1.700700    
 H   0.6638000      2.6500000E-02   1.190400    
 H    5.246100     -0.8694000       1.844500    
 H    4.487700      -1.724000      0.4684000    
 H    5.330100     -0.1283000      0.2330000    
 H    2.334100      -1.688700       2.089400    
 H    3.475200     -0.8490000       3.180400    
 H    1.920600     -7.2400004E-02   2.818500    
 H    2.873000       1.938900       1.979000    
 H    4.438200       1.273700       2.579700    
 H    4.309300       1.916000      0.8994000    
 H    4.111500      6.5000001E-03  -1.442900    
 H   0.1778000     -3.5000001E-03  -3.066800    
 H   -2.826300      1.7800000E-02   2.762200    
 H    2.627300     -1.0100000E-02  -3.362600    
 H   -3.710300      -2.347600       2.261900    
 H   -2.098200      -2.422100       3.004500    
 H   -2.449000      -3.357900       1.549900    
 H   -3.666000       2.396900       2.267100    
 H   -2.392800       3.386100       1.547000    
 H   -2.049000       2.447200       3.001200    
 H  -0.7092000      -5.071800     -0.7725000    
 H    1.012600      -4.631000     -0.7204000    
 H   4.5699999E-02  -4.178900      -2.141900    
 H  -0.6562000       5.073400     -0.7841000    
 H   7.5999998E-02   4.171800      -2.160000    
 H    1.060200       4.610900     -0.7464000    


%chk=000048493-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048493

1 1
O -1.869993 -3.706368 -0.560528
O -1.672917 3.580821 0.073943
O -1.037712 -2.359974 -2.266864
O -0.736845 2.519257 -1.777138
N 3.844693 0.284221 1.265150
N -1.979631 -0.252066 1.942865
C -0.890775 -0.042710 -0.692296
C 2.892852 0.055081 0.080356
C 0.643400 -0.087077 -0.864480
C -1.421623 -1.364095 -0.105541
C -1.340173 1.174809 0.127544
C 1.496139 0.107930 0.251070
C 4.730969 -0.953267 1.460738
C 3.102970 0.535051 2.574889
C 4.723092 1.511406 0.984419
C -1.890829 -1.437422 1.193679
C -1.827127 1.040643 1.415635
C 3.471976 -0.191179 -1.184106
C 1.216869 -0.329120 -2.134764
C 2.617388 -0.382446 -2.290476
C -1.413349 -2.481867 -1.066638
C -1.213313 2.445200 -0.610508
C -2.382814 -2.665708 1.929732
C -2.275455 2.142037 2.353291
C -1.905560 -4.819805 -1.543886
C -1.601774 4.849763 -0.695560
H -1.297768 0.060489 -1.714223
H 1.028701 0.313893 1.217874
H 5.400732 -0.782454 2.318380
H 4.080818 -1.821294 1.643448
H 5.322280 -1.126199 0.551883
H 2.478905 -0.337349 2.815322
H 3.850990 0.686984 3.367870
H 2.479986 1.435255 2.476155
H 4.066911 2.381504 0.836178
H 5.396668 1.673961 1.840769
H 5.309027 1.338497 0.072075
H 4.555820 -0.232353 -1.336779
H 0.557520 -0.479978 -2.992716
H -2.354320 -0.328157 2.889779
H 3.052963 -0.567764 -3.276952
H -3.323241 -3.036899 1.488158
H -2.562854 -2.442209 2.997470
H -1.664107 -3.494992 1.851841
H -3.230953 2.577137 2.012282
H -1.556611 2.973918 2.374882
H -2.416795 1.756069 3.379753
H -2.588698 -4.572413 -2.372894
H -2.271608 -5.684431 -0.972940
H -0.897264 -5.005623 -1.949366
H -2.215410 4.774169 -1.608112
H -0.559424 5.070570 -0.979913
H -1.999722 5.613251 -0.012649


