%chk=000083278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083278

0 1
 O    4.215700      -1.572900      1.3000000E-03
 N    3.404100      0.6385000     -3.9999999E-04
 N    5.671000      0.1887000      7.9999998E-04
 C  -0.7549000      0.1717000     -3.0000001E-04
 C   -2.192600      1.0200000E-02  1.9999999E-04
 C  -0.1963000       1.450000     -2.3000001E-03
 C   7.3100001E-02 -0.9509000      1.3000000E-03
 C    2.017700      0.4829000     -1.2000001E-03
 C    1.189800       1.605500     -2.7000001E-03
 C    1.459300     -0.7953000      8.9999998E-04
 C   -2.886000     -6.3900001E-02   1.208200    
 C   -2.885600     -6.9399998E-02  -1.207700    
 C   -4.272400     -0.2175000       1.208300    
 C   -4.272000     -0.2229000      -1.207500    
 C   -4.965400     -0.2970000      3.9999999E-04
 C    4.394600     -0.3577000      6.9999998E-04
 H  -0.8272000       2.335800     -3.5000001E-03
 H  -0.3470000      -1.954200      3.0000000E-03
 H    1.611300       2.607500     -4.0000002E-03
 H    2.034800      -1.710400      2.6000000E-03
 H   -2.361400     -3.3000000E-03   2.158900    
 H   -2.360700     -1.3000000E-02  -2.158500    
 H   -4.812400     -0.2752000       2.148800    
 H   -4.811700     -0.2848000      -2.148000    
 H    3.740300       1.598400     -1.2000001E-03
 H   -6.044900     -0.4165000      5.0000002E-04
 H    6.494700     -0.4035000      1.4000000E-03
 H    5.822300       1.191800      3.0000001E-04


%chk=000083278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083278

0 1
O 4.327195 -1.555419 0.000930
N 3.488423 0.658069 -0.000200
N 5.797959 0.246086 -0.000041
C -0.763849 0.154901 -0.000009
C -2.258328 0.003897 0.000038
C -0.160309 1.439058 -0.001028
C 0.088581 -0.978663 0.000952
C 2.083301 0.434735 -0.000143
C 1.240971 1.580092 -0.001119
C 1.494106 -0.857781 0.000926
C -2.979465 -0.066070 1.221262
C -2.978791 -0.073491 -1.221137
C -4.386040 -0.209406 1.222038
C -4.385367 -0.216815 -1.221825
C -5.093889 -0.284972 0.000130
C 4.512919 -0.303468 0.000335
H -0.794271 2.332773 -0.001807
H -0.356947 -1.980028 0.001799
H 1.683411 2.585514 -0.001974
H 2.139337 -1.738075 0.001702
H -2.432101 -0.009372 2.169174
H -2.430899 -0.022481 -2.169067
H -4.927097 -0.262852 2.173788
H -4.925898 -0.275989 -2.173535
H 3.766858 1.641199 -0.000830
H -6.184129 -0.396601 0.000170
H 6.570351 -0.415236 0.000250
H 6.002168 1.242993 -0.000477


