%chk=000018152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018152

0 1
 O   -1.693300       3.008000     -0.1599000    
 N   -1.375000      -1.637800     -5.6899998E-02
 N    2.504900      0.9961000     -8.2000000E-03
 N   0.5827000     -0.3470000     -3.1300001E-02
 N   -1.575900      0.6980000     -0.1095000    
 N   0.4091000       2.045700     -8.4399998E-02
 C    3.389000     -0.1674000      4.0199999E-02
 C  -0.5700000      -2.841400     -1.0900000E-02
 C   -2.819000      -1.752300     -7.8699999E-02
 C  -0.7595000     -0.3673000     -6.6500001E-02
 C    1.133400      0.8959000     -4.1999999E-02
 C    3.457300     -0.7214000       1.460600    
 C    4.774700      0.2264000     -0.4615000    
 C  -5.5399999E-02  -3.178700      -1.397100    
 C   -3.380300      -1.547300       1.315200    
 C  -0.9218000       1.870500     -0.1161000    
 C   -3.100900       2.819900     -0.1934000    
 H    3.014300     -0.9491000     -0.6327000    
 H   0.2636000      -2.742000      0.6950000    
 H   -1.167400      -3.684100      0.3587000    
 H   -3.269300      -1.041900     -0.7827000    
 H   -3.115200      -2.746200     -0.4367000    
 H    2.906700       1.925500      3.2800000E-02
 H    4.135100      -1.580000       1.510000    
 H    3.818600      3.7300002E-02   2.164000    
 H    2.475000      -1.053200       1.811800    
 H    4.721000      0.6160000      -1.484000    
 H    5.450000     -0.6354000     -0.4622000    
 H    5.219000       1.007100      0.1661000    
 H  -0.8827000      -3.309700      -2.102900    
 H   0.5997000      -2.397200      -1.794300    
 H   0.5165000      -4.111700      -1.370300    
 H   -2.959900      -2.273300       2.019600    
 H   -3.165500     -0.5463000       1.702000    
 H   -4.467400      -1.675800       1.306700    
 H   -3.404000       2.272700      -1.092400    
 H   -3.572300       3.806800     -0.2258000    
 H   -3.451700       2.309300      0.7099000    


%chk=000018152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018152

0 1
O -1.611888 3.087927 -0.141875
N -1.383781 -1.619508 -0.066342
N 2.523737 1.013615 0.016578
N 0.610039 -0.362948 -0.020286
N -1.570168 0.732317 -0.099833
N 0.454600 2.082457 -0.056372
C 3.466604 -0.120988 0.088791
C -0.589927 -2.866340 -0.003820
C -2.857944 -1.725861 -0.126427
C -0.763765 -0.392118 -0.062339
C 1.159418 0.893965 -0.016960
C 3.613368 -0.639783 1.540185
C 4.819932 0.313307 -0.509359
C -0.213056 -3.402988 -1.401793
C -3.508624 -1.767769 1.273167
C -0.889359 1.910288 -0.099678
C -3.082453 2.964799 -0.196793
H 3.032199 -0.932409 -0.523963
H 0.326879 -2.659302 0.571851
H -1.186632 -3.615907 0.550099
H -3.241971 -0.858353 -0.687000
H -3.104695 -2.642921 -0.694630
H 2.876178 1.972646 0.037745
H 4.271615 -1.528064 1.570260
H 4.050251 0.138468 2.193198
H 2.626045 -0.923932 1.942718
H 4.706084 0.643564 -1.557337
H 5.535069 -0.527475 -0.486140
H 5.263286 1.144452 0.073336
H -1.111492 -3.589505 -2.018383
H 0.425681 -2.672140 -1.926469
H 0.344464 -4.353876 -1.312392
H -3.117007 -2.608142 1.875462
H -3.305277 -0.827012 1.812875
H -4.604224 -1.890607 1.185808
H -3.396037 2.425027 -1.106703
H -3.438263 4.005521 -0.213178
H -3.464782 2.428295 0.688200


