%chk=000072718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072718

0 1
 O    4.086800       1.375700      7.3000002E-03
 N    4.205000     -0.9413000     -5.4000001E-03
 N    5.586600     -0.9464000      1.1800000E-02
 C  -0.7267000      5.6499999E-02 -8.9999998E-04
 C   -2.171700     -1.6700000E-02  3.0000001E-04
 C  -8.4100001E-02   1.167800      0.5446000    
 C   2.3900000E-02 -0.9842000     -0.5482000    
 C    2.059500      0.1978000     -4.4000000E-03
 C    1.309000       1.238600      0.5428000    
 C    1.416900     -0.9135000     -0.5498000    
 C   -2.839800     -0.5972000       1.078400    
 C   -2.896700      0.4933000      -1.076600    
 C   -4.232900     -0.6677000       1.079600    
 C   -4.289800      0.4229000      -1.075500    
 C    3.511900      0.2719000     -6.6000000E-03
 C   -4.957900     -0.1576000      2.7000001E-03
 H  -0.6542000       1.987300      0.9760000    
 H  -0.4618000      -1.854700     -0.9832000    
 H    1.790400       2.111200      0.9766000    
 H    1.962000      -1.731500      -1.011500    
 H   -2.290100     -0.9996000       1.926000    
 H   -2.391800      0.9492000      -1.925100    
 H   -4.753300      -1.119600       1.918900    
 H   -4.854400      0.8201000      -1.913900    
 H   -6.042600     -0.2123000      3.5000001E-03
 H    3.744100      -1.844000      4.1800000E-02
 H    5.869700      -1.461400      0.8445000    
 H    5.889300      -1.508000     -0.7829000    


%chk=000072718-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072718

0 1
O 4.224555 0.960108 0.853441
N 4.313402 -1.020916 -0.349346
N 5.732859 -1.098258 -0.309552
C -0.753492 -0.026299 0.057258
C -2.243516 -0.029170 0.016492
C -0.044701 0.755134 1.013233
C 0.007827 -0.797534 -0.864184
C 2.111835 -0.030007 0.143065
C 1.360755 0.755929 1.053612
C 1.415693 -0.799947 -0.825659
C -3.006763 0.110431 1.209034
C -2.942250 -0.170807 -1.214728
C -4.417225 0.107651 1.172446
C -4.352598 -0.173181 -1.252730
C 3.610947 0.026858 0.245802
C -5.098236 -0.034205 -0.058962
H -0.601693 1.392082 1.708885
H -0.508293 -1.419054 -1.604021
H 1.907480 1.372825 1.774141
H 1.960256 -1.385294 -1.576099
H -2.493320 0.189971 2.173933
H -2.379020 -0.245646 -2.151861
H -4.984580 0.207075 2.104522
H -4.869755 -0.273366 -2.213525
H -6.193360 -0.035869 -0.087961
H 3.845405 -1.857669 -0.696746
H 6.062614 -0.976629 0.660170
H 6.142474 -0.367613 -0.909863


