%chk=000088634.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088634

0 1
 O   8.4299996E-02  -2.611700     -0.6475000    
 O    1.834600      7.0400000E-02  -1.501500    
 N  -0.7199000     -0.7226000      0.5019000    
 C   -2.877200      0.3990000      0.1971000    
 C   -2.100700     -0.7687000      0.2748000    
 C   -4.269200      0.2901000     -3.3799998E-02
 C   -2.688100      -2.025600      0.1272000    
 C   -2.302900       1.672300      0.3434000    
 C   -4.843700     -0.9830000     -0.1805000    
 C   -5.045900       1.457700     -0.1116000    
 C    1.653700      -1.234400      0.5074000    
 C   -4.057000      -2.132500     -0.1004000    
 C   0.2554000      -1.619900      5.6600001E-02
 C   -3.089700       2.821500      0.2635000    
 C   -4.458600       2.714500      3.6400001E-02
 C    2.372800     -0.3238000     -0.4693000    
 C    3.767500      0.1062000     -0.1600000    
 C    4.353000     -0.3399000       1.003100    
 C    4.415400      0.9329000      -1.049500    
 C    5.656900      6.2500000E-02   1.292300    
 C    5.719300       1.335100     -0.7604000    
 C    6.340000      0.8999000      0.4106000    
 H   -2.122800      -2.947500      0.2201000    
 H  -0.3599000      0.1366000      0.9049000    
 H   -1.240600       1.822600      0.5104000    
 H   -5.911900      -1.090500     -0.3569000    
 H    1.584300     -0.7398000       1.482800    
 H    2.218600      -2.166800      0.6196000    
 H   -6.117800       1.397900     -0.2887000    
 H   -4.515800      -3.111300     -0.2068000    
 H   -2.633400       3.800800      0.3757000    
 H   -5.070400       3.609700     -2.6500000E-02
 H    3.860200     -0.9904000       1.716200    
 H    3.950700       1.282900      -1.966000    
 H    6.140800     -0.2759000       2.204000    
 H    6.251600       1.987200      -1.446700    
 H    7.355300       1.213200      0.6357000    


%chk=000088634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088634

0 1
O -0.078686 -3.036242 0.763210
O 1.357486 0.936248 -0.015976
N -0.685075 -0.809309 0.263613
C -2.825084 0.352987 -0.066908
C -2.104261 -0.874256 0.226167
C -4.274035 0.304684 -0.110578
C -2.805279 -2.069994 0.460456
C -2.180507 1.612651 -0.316561
C -4.956395 -0.932241 0.133279
C -5.007386 1.503370 -0.398929
C 1.714173 -1.442540 0.484773
C -4.229781 -2.089296 0.412075
C 0.214970 -1.825942 0.514423
C -2.924933 2.762819 -0.594597
C -4.352307 2.711920 -0.637322
C 2.180065 -0.009360 0.219494
C 3.649229 0.272987 0.239464
C 4.620962 -0.737657 0.482471
C 4.080329 1.608777 0.005284
C 5.993672 -0.415295 0.490590
C 5.451153 1.928150 0.014813
C 6.411849 0.916114 0.257692
H -2.242988 -2.979185 0.678585
H -0.229187 0.103138 0.086529
H -1.089277 1.705100 -0.295710
H -6.051687 -0.950766 0.096856
H 2.129375 -1.778332 1.455171
H 2.181598 -2.110087 -0.266302
H -6.102372 1.450004 -0.428175
H -4.749144 -3.035538 0.598896
H -2.409206 3.711150 -0.781317
H -4.924343 3.620098 -0.856332
H 4.316447 -1.773252 0.664811
H 3.318969 2.373237 -0.180097
H 6.736805 -1.197544 0.677756
H 5.774588 2.958745 -0.165343
H 7.479164 1.163356 0.265341


