%chk=000044691.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044691

0 1
 O    2.519000       1.192200      0.1249000    
 N   -2.875200      0.9678000      6.7100003E-02
 C    2.472200     -0.2341000      0.2684000    
 C    1.191300     -0.7251000     -0.4364000    
 C  -0.1263000     -0.2569000      0.1892000    
 C   -1.329600     -0.8625000     -0.5468000    
 C   -2.678100     -0.4821000      8.7700002E-02
 C    3.743600     -0.8043000     -0.3635000    
 C    2.452900     -0.5198000       1.770500    
 C   -3.830000      -1.166300     -0.6478000    
 C    2.580400       1.564400      -1.240400    
 C   -4.120200       1.326700      0.7271000    
 H    1.187900     -0.5129000      -1.510200    
 H    1.200600      -1.823900     -0.3813000    
 H  -0.1800000     -0.5615000       1.239600    
 H  -0.1754000      0.8370000      0.1596000    
 H   -1.309000     -0.5461000      -1.598000    
 H   -1.232300      -1.955900     -0.5469000    
 H   -2.665400     -0.8364000       1.126800    
 H    3.684500     -0.8687000      -1.455100    
 H    3.914800      -1.830300     -1.6600000E-02
 H    4.626800     -0.2087000     -0.1064000    
 H    1.686100      6.6000000E-02   2.288300    
 H    3.404900     -0.2256000       2.228600    
 H    2.290900      -1.582600       1.976800    
 H   -4.776400      -1.093800     -0.1025000    
 H   -3.624400      -2.236800     -0.7634000    
 H   -3.973900     -0.7528000      -1.652700    
 H   -2.883600       1.310900     -0.8928000    
 H    2.754600       2.646800      -1.250900    
 H    1.629800       1.429400      -1.761400    
 H    3.413700       1.136200      -1.799800    
 H   -4.210200      0.8668000       1.717000    
 H   -5.002300       1.083500      0.1272000    
 H   -4.135300       2.411200      0.8787000    


%chk=000044691-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044691

0 1
O 2.406250 1.186613 0.343323
N -2.818830 0.937129 -0.286720
C 2.474596 -0.305538 0.266039
C 1.198579 -0.895676 -0.401691
C -0.139801 -0.480503 0.244836
C -1.360939 -1.049798 -0.508158
C -2.714769 -0.512850 0.021546
C 3.738130 -0.745623 -0.512069
C 2.595006 -0.709659 1.748329
C -3.901675 -1.357627 -0.520632
C 2.282854 1.901955 -0.923914
C -3.855705 1.693734 0.438046
H 1.186660 -0.604603 -1.473289
H 1.295233 -2.001460 -0.390632
H -0.174604 -0.831383 1.295809
H -0.221297 0.621298 0.278633
H -1.283432 -0.804355 -1.590282
H -1.363084 -2.157351 -0.441305
H -2.706906 -0.593361 1.129080
H 3.662124 -0.516658 -1.590934
H 3.887436 -1.836558 -0.413717
H 4.629635 -0.235068 -0.106137
H 1.779274 -0.258954 2.337008
H 3.551625 -0.345213 2.161570
H 2.554442 -1.808322 1.860227
H -4.874358 -0.945714 -0.193763
H -3.842654 -2.404008 -0.166036
H -3.890233 -1.375035 -1.628248
H -2.855616 1.096483 -1.303410
H 2.275396 2.970740 -0.653669
H 1.338477 1.663328 -1.455901
H 3.137763 1.710728 -1.604855
H -3.652997 1.639898 1.524088
H -4.905275 1.346926 0.275569
H -3.804903 2.758284 0.145859


