%chk=000027819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027819

1 1
 O    2.053000     -0.4476000      4.1999999E-03
 O    3.628700       1.241900     -4.9999999E-03
 N   -2.800100     -1.6799999E-02 -3.1000001E-03
 C   -1.493200      0.7621000      3.7099998E-02
 C  -0.3304000     -0.2152000      1.6500000E-02
 C   -2.866700     -0.9581000       1.191000    
 C   -3.970900      0.9540000      5.0200000E-02
 C   -2.869600     -0.8252000      -1.290700    
 C    1.006000      0.5129000      8.9999996E-03
 C    3.324500      5.6699999E-02 -2.7000001E-03
 C    4.318600      -1.064800     -6.5000001E-03
 H   -1.475500       1.430700     -0.8315000    
 H   -1.491600       1.367400      0.9512000    
 H  -0.3394000     -0.8662000     -0.8626000    
 H  -0.3260000     -0.8739000      0.8909000    
 H   -2.628800     -0.3947000       2.098100    
 H   -3.887500      -1.349400       1.254300    
 H   -2.183500      -1.799200       1.050200    
 H   -3.904600       1.622000     -0.8137000    
 H   -4.903000      0.3819000      1.8999999E-02
 H   -3.905000       1.523500      0.9819000    
 H   -2.630500     -0.1693000      -2.132900    
 H   -2.189100      -1.678400      -1.242300    
 H   -3.891400      -1.204800      -1.394800    
 H    1.094600       1.143900      0.9015000    
 H    1.084900       1.143200     -0.8848000    
 H    4.185200      -1.674900     -0.9033000    
 H    4.195800      -1.671500      0.8941000    
 H    5.331500     -0.6519000     -1.3400000E-02


%chk=000027819-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027819

1 1
O 2.130434 -0.475798 -0.006608
O 3.607900 1.321776 0.064912
N -2.859310 -0.053788 -0.003863
C -1.468395 0.638043 0.028988
C -0.259703 -0.310135 -0.001043
C -3.042196 -0.963473 1.210144
C -3.928565 1.041059 0.031801
C -3.030151 -0.869421 -1.284737
C 1.036778 0.518856 0.030613
C 3.438736 0.088441 0.016001
C 4.483511 -0.995819 -0.027231
H -1.453444 1.319842 -0.840608
H -1.462311 1.252203 0.947738
H -0.244509 -0.927185 -0.916784
H -0.249201 -0.989112 0.869780
H -2.875978 -0.377497 2.127015
H -4.068103 -1.362446 1.202626
H -2.323915 -1.793189 1.160268
H -3.805245 1.694376 -0.845279
H -4.924937 0.573812 0.011391
H -3.811498 1.628947 0.954804
H -2.851752 -0.216857 -2.153046
H -2.314898 -1.703335 -1.290162
H -4.057100 -1.264328 -1.318999
H 1.123957 1.129917 0.948979
H 1.124547 1.196781 -0.839556
H 4.367928 -1.604130 -0.940920
H 4.368405 -1.675112 0.835076
H 5.485015 -0.544128 -0.009402


