%chk=000227153.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227153

0 1
 O    4.096100       2.786200       0.000000    
 N  -0.5636000       1.284900     -2.4999999E-03
 N    4.839400      0.5490000      1.0000000E-03
 C    1.333700      -1.723000      3.0000001E-04
 C    1.291500     -0.3166000     -1.4000000E-03
 C  -1.8500000E-02  -2.240300      9.9999997E-05
 C  -0.9236000      -1.164800     -1.7000000E-03
 C  -0.1293000      7.3600002E-02 -2.7000001E-03
 C    2.427900      0.4685000     -1.6000000E-03
 C    2.555100      -2.374300      2.0999999E-03
 C  -0.4972000      -3.538700      1.4000000E-03
 C   -2.294300      -1.331600     -2.4999999E-03
 C    3.656700     -0.1926000     -1.9999999E-04
 C    3.720300      -1.598600      1.8000000E-03
 C   -1.883700      -3.734300      7.9999998E-04
 C   -2.772200      -2.642200     -1.2000001E-03
 C   -1.962300       1.435400     -1.0000000E-03
 C   -2.646100       1.509300       1.207700    
 C   -2.648500       1.509700      -1.208300    
 C   -4.727500       1.734600      1.9000000E-03
 C   -4.032900       1.659300       1.209200    
 C   -4.035200       1.659900      -1.206800    
 C    4.986200       1.942100     -6.0000003E-04
 C   -6.210200       1.893400      2.7999999E-03
 C    6.438000       2.350800      1.5000000E-03
 H    2.298600       1.539500     -3.0000000E-03
 H    2.622400      -3.457000      3.7000000E-03
 H   0.1724000      -4.392300      2.7999999E-03
 H   -3.075700     -0.6070000     -4.1999999E-03
 H    4.684400      -2.103000      3.3000000E-03
 H   -2.282300      -4.745700      1.7000000E-03
 H   -3.843300      -2.828200     -1.7000000E-03
 H    5.696500     -9.9999997E-05  2.6000000E-03
 H   -2.112600       1.452700       2.152800    
 H   -2.117000       1.453600      -2.154500    
 H   -4.561000       1.714000       2.157500    
 H   -4.565300       1.715200      -2.153800    
 H   -6.547500       2.458400     -0.8729000    
 H   -6.548600       2.442700      0.8878000    
 H   -6.692900      0.9111000     -6.0000001E-03
 H    6.924100       1.982700      0.9093000    
 H    6.516200       3.441100     -2.6699999E-02
 H    6.941500       1.936800     -0.8768000    


%chk=000227153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227153

0 1
O 3.905537 2.819255 -0.007681
N -0.693305 0.993377 -0.001322
N 4.798477 0.646225 -0.001192
C 1.423314 -1.939616 0.001595
C 1.238556 -0.526327 0.000257
C 0.093874 -2.587238 0.001937
C -0.914137 -1.568468 0.000904
C -0.229536 -0.227904 -0.000240
C 2.309834 0.377000 -0.000643
C 2.727559 -2.468135 0.002185
C -0.266043 -3.947314 0.002892
C -2.280460 -1.909197 0.000621
C 3.628382 -0.163999 -0.000181
C 3.822063 -1.576407 0.001286
C -1.642833 -4.287541 0.002692
C -2.639096 -3.281612 0.001491
C -2.075699 1.331184 -0.000688
C -2.761756 1.554079 1.223325
C -2.758038 1.570029 -1.223795
C -4.808663 2.201163 0.000842
C -4.107033 1.978853 1.214169
C -4.103364 1.994319 -1.213191
C 4.902715 2.043215 -0.002963
C -6.265435 2.633243 0.001179
C 6.347082 2.547387 -0.000403
H 2.148069 1.455923 -0.001918
H 2.906181 -3.548526 0.003255
H 0.495810 -4.734565 0.003719
H -3.053246 -1.136268 -0.000220
H 4.843883 -1.978266 0.001655
H -1.940512 -5.342230 0.003432
H -3.696972 -3.565145 0.001270
H 5.683484 0.132929 -0.000229
H -2.231444 1.401481 2.169137
H -2.224731 1.429830 -2.169825
H -4.619183 2.144194 2.170325
H -4.612675 2.171844 -2.168697
H -6.504825 3.250533 -0.882992
H -6.512897 3.221664 0.902564
H -6.945688 1.758905 -0.016243
H 6.880018 2.231575 0.915807
H 6.332731 3.645812 -0.038045
H 6.909701 2.168940 -0.874074


