%chk=000052322.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052322

0 1
 O   0.3495000      -3.513600      0.1011000    
 O   0.3496000       3.514100      0.1004000    
 O    2.268100      -2.452400      0.2096000    
 O    2.268000       2.452800      0.2102000    
 O   -3.783500      -1.097900     -0.1374000    
 O   -3.783900       1.097300     -0.1373000    
 N    1.016600      -2.453200      0.1384000    
 N    1.016600       2.453500      0.1380000    
 N    3.151400     -1.2000001E-03  -1.093200    
 N   -3.176600     -1.9999999E-04 -0.1028000    
 C    1.026400      1.9999999E-04  0.1377000    
 C   0.3300000      -1.207800      9.7800002E-02
 C   0.3299000       1.208200      9.7700000E-02
 C    2.522300      9.9999997E-05  0.2257000    
 C   -1.759000       0.000000     -2.1900000E-02
 C   -1.062600      -1.207900      1.7999999E-02
 C   -1.062700       1.208000      1.7899999E-02
 H    2.949200      0.7695000      0.8685000    
 H    2.948000     -0.7689000      0.8699000    
 H   -1.609300      -2.147500     -1.3100000E-02
 H   -1.609500       2.147500     -1.3300000E-02
 H    2.852400      0.8164000      -1.622700    
 H    2.852000     -0.8194000      -1.621400    


%chk=000052322-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052322

0 1
O 0.319001 -3.511917 0.663023
O 0.316608 3.512448 0.662907
O 2.105876 -2.668860 -0.476801
O 2.105302 2.670395 -0.474716
O -3.850818 -1.143405 -0.188540
O -3.850984 1.143334 -0.188372
N 0.962132 -2.541196 0.113821
N 0.961901 2.541665 0.116338
N 3.242596 -0.002765 -1.002797
N -3.257052 0.000004 -0.145251
C 1.085112 0.000313 0.173249
C 0.311405 -1.200839 0.105576
C 0.311216 1.201301 0.105911
C 2.614405 0.000744 0.318734
C -1.774916 0.000107 -0.038832
C -1.091544 -1.226193 0.014618
C -1.091715 1.226511 0.014714
H 2.943494 0.888810 0.877679
H 2.943727 -0.884416 0.882047
H -1.638929 -2.172308 -0.006825
H -1.639260 2.172542 -0.006223
H 3.177199 0.869973 -1.528798
H 3.178146 -0.878648 -1.523663