%chk=000100097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100097

0 1
 O   -3.300400      -2.344400      0.8339000    
 O   -4.588300      -1.033600     -0.4825000    
 O   0.1162000      -1.407200      -1.526500    
 O    2.855400      0.2133000      0.9125000    
 N   -1.097500     -0.9987000      0.4110000    
 N  -0.7325000       2.562500       1.073700    
 N    2.357500      -1.857200     -1.4400000E-02
 N   0.3174000       3.143100     -0.7951000    
 N    5.466300     -5.6400001E-02  0.1057000    
 C   -2.264400     -0.4176000     -0.2135000    
 C   -2.516500       1.007300      0.2981000    
 C   -1.340000       1.924700      5.7599999E-02
 C   -3.496600      -1.279700      1.9700000E-02
 C   3.5000001E-03  -1.448300     -0.3033000    
 C    1.063700      -2.037400      0.6044000    
 C  -0.7063000       2.274400      -1.079500    
 C   0.2740000       3.296000      0.5098000    
 C    3.151100     -0.7384000      0.1931000    
 C    4.437400     -0.8022000     -0.6047000    
 H   -2.105000     -0.4044000      -1.298600    
 H   -3.396500       1.435100     -0.1992000    
 H   -2.752300      0.9796000       1.370700    
 H   -1.116900      -1.121200       1.419500    
 H    1.057500      -1.553100       1.585700    
 H   0.8809000      -3.109300      0.7200000    
 H  -0.9621000       2.517400       2.058300    
 H  -0.9107000       1.963000      -2.093400    
 H    2.675200      -2.580200     -0.6533000    
 H   0.9347000       3.914200       1.100800    
 H   -4.120600      -2.868000      0.9572000    
 H    4.261000     -0.3640000      -1.591600    
 H    4.764900      -1.837900     -0.7367000    
 H    5.164700      0.9076000      0.2419000    
 H    5.601800     -0.4515000       1.035300    


%chk=000100097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100097

0 1
O -3.491210 -1.962943 1.118677
O -4.491227 -1.010652 -0.754326
O 0.169713 -1.522745 -1.637961
O 2.114122 -0.118751 1.191976
N -1.030776 -1.243943 0.348740
N 0.209624 1.785664 0.329053
N 2.421825 -2.150633 0.134795
N 0.021867 3.748512 -0.792679
N 4.605342 0.868081 0.038837
C -2.132158 -0.471976 -0.230891
C -2.239549 0.967611 0.397338
C -1.148913 1.919979 0.002718
C -3.481190 -1.166870 -0.041509
C 0.026377 -1.727508 -0.398484
C 1.043012 -2.572522 0.408223
C -1.236640 3.140449 -0.683720
C 0.868748 2.898138 -0.173624
C 2.868430 -0.914051 0.539345
C 4.336035 -0.558867 0.195266
H -1.939763 -0.382742 -1.313711
H -3.198226 1.406463 0.067512
H -2.300229 0.849240 1.498791
H -1.095322 -1.476109 1.342061
H 0.849598 -2.497201 1.493582
H 0.934203 -3.627860 0.103425
H 0.688394 0.992739 0.785026
H -2.127167 3.609825 -1.098172
H 2.986166 -2.703828 -0.511010
H 1.939673 3.048218 -0.062363
H -4.397066 -2.355116 1.244660
H 4.643088 -1.091695 -0.725000
H 4.970096 -0.955723 1.012679
H 4.181024 1.287843 -0.794265
H 4.408698 1.416475 0.881610


