%chk=000055210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055210

1 1
 O   0.2425000     -0.9555000      -1.217000    
 N   -2.208900      -1.455700     -8.3700001E-02
 N    1.239400     -0.3515000      0.8233000    
 C   -2.492800     -0.4010000      -1.143600    
 C   -3.451100      -1.663600      0.7707000    
 C   -1.832900      -2.766100     -0.7600000    
 C   -1.058700     -0.9917000      0.7983000    
 C   -2.873100      0.9289000     -0.5625000    
 C   -3.162700      -2.712700       1.822100    
 C   -2.980000      -3.222100      -1.635200    
 C   0.2027000     -0.7702000     -5.2000000E-03
 C   -1.884900       1.866100     -0.2822000    
 C   -4.210600       1.212400     -0.3088000    
 C    2.569300     -4.2300001E-02  0.4514000    
 C   -2.238700       3.102300      0.2584000    
 C   -4.564400       2.448700      0.2316000    
 C    2.891800       1.257200      8.9599997E-02
 C    3.527900      -1.044900      0.4548000    
 C   -3.578500       3.393500      0.5153000    
 C    4.202900       1.561100     -0.2771000    
 C    4.838900     -0.7408000      8.8299997E-02
 C    5.176300      0.5621000     -0.2777000    
 C    1.871000       2.349100      7.8800000E-02
 C    3.196900      -2.450200      0.8409000    
 C    6.577700      0.8869000     -0.6706000    
 H   -1.688600     -0.3119000      -1.875400    
 H   -3.360900     -0.7357000      -1.722000    
 H   -3.660700     -0.7326000       1.305800    
 H   -4.318100      -1.900100      0.1497000    
 H  -0.9766000      -2.644100      -1.420100    
 H   -1.548200      -3.509900     -1.1700000E-02
 H   -1.349900     -0.1097000       1.374500    
 H  -0.8139000      -1.798900       1.496000    
 H   -2.389400      -2.434100       2.540800    
 H   -2.955300      -3.707200       1.422200    
 H   -4.072000      -2.835900       2.425300    
 H   -3.179700      -2.570100      -2.488500    
 H   -3.908900      -3.426800      -1.100200    
 H   -2.695100      -4.184300      -2.081100    
 H  -0.8457000       1.667200     -0.5067000    
 H   -4.993200      0.4929000     -0.5335000    
 H    1.036600     -0.2128000       1.810900    
 H   -1.471500       3.840800      0.4722000    
 H   -5.607800       2.676600      0.4291000    
 H   -3.854100       4.357000      0.9340000    
 H    4.469100       2.575800     -0.5639000    
 H    5.601900      -1.515800      8.6999997E-02
 H    2.344200       3.333900      0.1641000    
 H    1.179900       2.267100      0.9235000    
 H    1.312600       2.325200     -0.8613000    
 H    2.744200      -2.479700       1.837600    
 H    2.505100      -2.891800      0.1162000    
 H    4.088800      -3.085500      0.8740000    
 H    7.156600       1.179800      0.2109000    
 H    6.605400       1.706500      -1.396700    
 H    7.065900      2.6600000E-02  -1.141100    


%chk=000055210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055210

1 1
O 0.332618 -1.153966 -1.121922
N -2.289880 -1.622688 0.058380
N 1.185873 -0.330691 0.898689
C -2.614849 -0.634844 -1.139001
C -3.538992 -1.694380 0.977108
C -1.938728 -3.024757 -0.526346
C -1.114535 -1.120175 0.897920
C -2.766465 0.820883 -0.751228
C -3.454195 -2.680493 2.149205
C -3.067325 -3.709289 -1.304294
C 0.200223 -0.873848 0.109000
C -1.665474 1.709694 -0.889340
C -4.023404 1.344449 -0.342182
C 2.521439 0.030028 0.462873
C -1.811127 3.081974 -0.589359
C -4.167650 2.715673 -0.039074
C 2.935197 1.377802 0.671045
C 3.394941 -0.943367 -0.096430
C -3.058839 3.586300 -0.154801
C 4.240866 1.744904 0.278366
C 4.689340 -0.518980 -0.482549
C 5.133969 0.813191 -0.307583
C 2.002318 2.401149 1.296906
C 2.992896 -2.394297 -0.266466
C 6.539084 1.224272 -0.704928
H -1.783623 -0.778873 -1.845084
H -3.547379 -1.034094 -1.567588
H -3.701257 -0.665889 1.339618
H -4.381184 -1.953748 0.315450
H -1.057667 -2.852108 -1.163484
H -1.630659 -3.640742 0.335816
H -1.441371 -0.180670 1.377238
H -0.937669 -1.873683 1.683718
H -2.668402 -2.424919 2.879397
H -3.317359 -3.726014 1.826781
H -4.415509 -2.634685 2.691102
H -3.372272 -3.149587 -2.203481
H -3.959717 -3.923059 -0.692019
H -2.679306 -4.681894 -1.655750
H -0.708637 1.334149 -1.270385
H -4.902406 0.689590 -0.293481
H 0.931221 -0.043432 1.849855
H -0.961187 3.760531 -0.717472
H -5.143098 3.108139 0.265681
H -3.173289 4.651967 0.068681
H 4.567074 2.781316 0.426149
H 5.371842 -1.256856 -0.921115
H 2.436823 3.412077 1.234926
H 1.821948 2.199817 2.373081
H 1.015774 2.425386 0.796426
H 2.436008 -2.769605 0.612861
H 2.338854 -2.519659 -1.148950
H 3.881676 -3.032230 -0.401451
H 7.249765 1.057055 0.127327
H 6.590459 2.294590 -0.968562
H 6.903943 0.641086 -1.567773


