%chk=000047198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047198

0 1
 O   0.9758000     -0.1334000      0.6106000    
 N    3.349000     -0.8350000      -1.320900    
 N    4.074600     -0.1656000      0.8144000    
 C   -2.594600     -0.6509000      3.0000000E-03
 C  -0.3271000      0.1233000      0.3127000    
 C   -1.259100     -0.9143000      0.3079000    
 C   -2.997900      0.6503000     -0.2969000    
 C  -0.7304000       1.424400      1.2700000E-02
 C   -2.065800       1.688000     -0.2920000    
 C    1.958100      0.7048000      3.7000000E-03
 C   -3.591400      -1.760000     -2.0000001E-03
 C    3.208700     -0.1315000     -0.1532000    
 H  -0.9388000      -1.926200      0.5442000    
 H   -4.036000      0.8690000     -0.5328000    
 H  -4.2100001E-02   2.264200      3.2499999E-02
 H   -2.381600       2.702200     -0.5190000    
 H    2.169200       1.558000      0.6574000    
 H    1.658500       1.053900     -0.9924000    
 H   -3.127000      -2.706800     -0.2981000    
 H   -4.026000      -1.878900      0.9955000    
 H   -4.399100      -1.563100     -0.7153000    
 H    4.160000      -1.421300      -1.486200    
 H    2.648800     -0.8009000      -2.054300    
 H    4.847900     -0.7827000      0.5428000    


%chk=000047198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047198

0 1
O 0.990054 -0.356575 -0.201061
N 3.357026 -1.379201 -0.522631
N 4.450110 0.774547 -0.138857
C -2.697724 -0.641270 -0.124185
C -0.347246 0.075848 -0.112585
C -1.321999 -0.948650 -0.197976
C -3.086440 0.717961 0.038114
C -0.731764 1.427121 0.050178
C -2.111832 1.731668 0.123610
C 2.047064 0.662364 -0.127990
C -3.746323 -1.737108 -0.215755
C 3.410167 -0.017918 -0.266609
H -0.984974 -1.983495 -0.322164
H -4.150791 0.973887 0.097362
H 0.007697 2.229621 0.120608
H -2.420147 2.775666 0.249615
H 2.011761 1.193623 0.840922
H 1.930090 1.398716 -0.945823
H -3.286377 -2.732076 -0.341619
H -4.372940 -1.767184 0.695367
H -4.426092 -1.568055 -1.071895
H 4.205860 -1.928645 -0.632200
H 2.442338 -1.829308 -0.567867
H 5.366183 0.295962 -0.252262


