%chk=000170780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170780

1 1
 O    3.614000      -1.399400      -1.662000    
 O    3.199000       2.442400       1.020100    
 O    4.764800       2.458800     -0.6850000    
 N  -5.3900000E-02  -1.658900      0.9205000    
 N   -2.020200       1.209900     -0.2632000    
 C    2.404500      -1.553100      0.4864000    
 C    2.335300     -2.3600001E-02  0.5990000    
 C    1.282300      -2.162700       1.311600    
 C   0.9527000      0.5180000      0.2131000    
 C    2.458400      -1.964700      -1.003500    
 C  -0.2180000     -0.3883000      0.4771000    
 C    3.391600      0.5682000     -0.2883000    
 C   -1.536100      8.3999997E-03  0.2073000    
 C    2.550700      -3.474900      -1.200800    
 C   -1.097400      -2.495900       1.108100    
 C    3.943200     -0.1192000      -1.295700    
 C   -2.634400     -0.8258000      0.3811000    
 C   -2.407900      -2.124200      0.8472000    
 C   -3.804800     -9.2100002E-02  9.7000003E-03
 C    3.882000       1.922600     -3.1900000E-02
 C   -3.388100       1.176700     -0.3888000    
 C   -5.182700     -0.3922000     -2.6699999E-02
 C   -4.278300       2.165600     -0.8227000    
 C   -6.086100      0.5858000     -0.4581000    
 C   -5.638200       1.845400     -0.8497000    
 C    3.567600       3.773500       1.395200    
 H    3.352000      -1.877100      0.9442000    
 H    2.533400      0.2195000       1.652000    
 H    1.289100      -3.254400       1.238400    
 H    1.391100      -1.899300       2.371600    
 H   0.9273000      0.7609000     -0.8585000    
 H   0.7787000       1.463400      0.7429000    
 H    1.571800      -1.608200      -1.542300    
 H    3.409200      -3.887900     -0.6600000    
 H    1.643500      -3.985900     -0.8671000    
 H    2.703100      -3.712700      -2.259600    
 H  -0.8680000      -3.486300       1.487200    
 H    4.735400      0.2451000      -1.936100    
 H   -3.222000      -2.823200       1.008000    
 H   -1.445400       2.011000     -0.4847000    
 H   -5.547100      -1.370100      0.2750000    
 H   -3.929600       3.146400      -1.128300    
 H   -7.148300      0.3584000     -0.4875000    
 H   -6.356100       2.591000      -1.181700    
 H    4.618800       3.804300       1.697300    
 H    2.948600       4.070500       2.245800    
 H    3.382600       4.464800      0.5674000    


%chk=000170780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170780

1 1
O 3.775282 -1.438438 -1.599555
O 3.104774 2.559518 1.007728
O 4.848082 2.547712 -0.555275
N -0.092425 -1.717748 0.891053
N -2.008494 1.221578 -0.310615
C 2.418075 -1.603934 0.464197
C 2.328937 -0.059215 0.571275
C 1.272946 -2.248436 1.254171
C 0.937854 0.461731 0.109021
C 2.528363 -2.047659 -1.016204
C -0.245964 -0.427210 0.415899
C 3.447220 0.569482 -0.242497
C -1.566854 -0.004438 0.176566
C 2.673447 -3.550005 -1.249348
C -1.174919 -2.556434 1.136309
C 4.094789 -0.153397 -1.212924
C -2.717111 -0.844690 0.417487
C -2.488720 -2.151178 0.910869
C -3.887703 -0.077475 0.058601
C 3.901765 1.950964 0.010866
C -3.416610 1.206629 -0.392411
C -5.280563 -0.351013 0.073574
C -4.296627 2.217845 -0.826270
C -6.162896 0.653685 -0.358043
C -5.674353 1.920187 -0.801541
C 3.516485 3.937834 1.381828
H 3.353206 -1.931602 0.960412
H 2.463529 0.227081 1.630869
H 1.246767 -3.340200 1.107997
H 1.419644 -2.051488 2.332470
H 0.954518 0.628508 -0.987970
H 0.784204 1.458935 0.563386
H 1.687880 -1.642714 -1.616751
H 3.451032 -3.983976 -0.596711
H 1.719523 -4.079099 -1.075417
H 2.968036 -3.732722 -2.295916
H -0.928840 -3.547956 1.520168
H 4.950414 0.241897 -1.768334
H -3.304424 -2.847988 1.115647
H -1.418140 2.010923 -0.568735
H -5.663296 -1.318981 0.412240
H -3.937885 3.192903 -1.169302
H -7.241234 0.469640 -0.357036
H -6.390247 2.680037 -1.131250
H 4.548439 3.931714 1.768935
H 2.804388 4.246145 2.160069
H 3.465803 4.603551 0.504464


