%chk=000072214.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072214

0 1
 O   -2.440500     -0.6797000       1.117200    
 O   -1.303400       3.191900     -0.2638000    
 O   -4.312600      -2.020400     -0.7980000    
 N  -3.5799999E-02 -0.4357000      0.6064000    
 N    1.450300      -2.054000      0.2284000    
 N    1.356200       1.512400      0.1971000    
 N    3.629400      0.8654000     -0.4113000    
 N    4.317600      -1.421400     -0.5623000    
 C   -1.967800      0.8972000     -0.2414000    
 C   -1.293200      0.1928000      0.9381000    
 C   -3.093900     -0.1105000     -4.0100001E-02
 C   -2.416500       2.332100     -6.9300003E-02
 C   -3.237500      -1.151300      -1.125600    
 C    1.132000      0.1923000      0.2788000    
 C   0.2059000      -1.783300      0.5630000    
 C    2.040400     -0.8283000      4.7800001E-02
 C    3.331400     -0.4523000     -0.3097000    
 C    2.637900       1.752800     -0.1553000    
 H   -1.454400      0.7686000      -1.204500    
 H   -1.183400      0.8271000       1.827400    
 H   -4.053000      0.3408000      0.2437000    
 H   -2.843700       2.523700      0.9207000    
 H   -3.167900       2.594600     -0.8206000    
 H   -2.332400      -1.753500      -1.250100    
 H   -3.465700     -0.6842000      -2.089200    
 H  -0.5537000      -2.520800      0.7837000    
 H  -0.6537000       2.991400      0.4315000    
 H   -5.126000      -1.487700     -0.7795000    
 H    2.911600       2.798600     -0.2464000    
 H    5.248500      -1.122900     -0.8194000    
 H    4.098200      -2.405400     -0.4862000    


%chk=000072214-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072214

0 1
O -2.369946 -1.017957 0.928137
O -0.954437 2.986123 -0.519724
O -4.884679 -1.896047 -0.786212
N 0.003643 -0.598955 0.528688
N 1.689117 -2.129371 0.253230
N 1.292193 1.497192 0.181124
N 3.665916 1.057235 -0.250011
N 4.578262 -1.118814 -0.337066
C -2.029767 0.764594 -0.320776
C -1.297891 0.003393 0.825466
C -3.238152 -0.176597 -0.015678
C -2.167746 2.284084 -0.142809
C -3.816927 -0.973966 -1.177451
C 1.159298 0.139050 0.276154
C 0.376221 -1.955714 0.503003
C 2.190952 -0.821829 0.110286
C 3.493606 -0.308114 -0.161012
C 2.584292 1.869359 -0.084622
H -1.576363 0.551532 -1.305802
H -1.209624 0.595159 1.758694
H -4.038470 0.306666 0.581672
H -2.465488 2.503991 0.910510
H -2.963596 2.674032 -0.804819
H -3.038760 -1.616816 -1.620677
H -4.165005 -0.250544 -1.950475
H -0.351876 -2.743801 0.673173
H -0.126036 2.514188 -0.156078
H -5.640448 -1.383933 -0.400625
H 2.768860 2.942823 -0.179615
H 5.484818 -0.697076 -0.529709
H 4.472335 -2.129587 -0.275876


