%chk=000018624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018624

0 1
 I   -4.275700     -0.5538000      0.8679000    
 O   -1.222800      -1.758100       1.019300    
 O   0.6330000     -0.9577000      -2.396100    
 O  -0.3247000      0.4864000       1.968300    
 O    3.925300     -0.7857000      0.7958000    
 N    2.296500     -0.7767000     -0.8266000    
 N    1.817800     -5.6000002E-02   1.353700    
 C   0.1530000      0.3399000     -0.4046000    
 C   -1.328200     -6.2000002E-03 -0.6151000    
 C   0.4005000       1.797600     -0.8324000    
 C   -1.617300      -1.478600     -0.3235000    
 C    1.015200     -0.5416000      -1.302600    
 C   0.4923000      0.2464000       1.079700    
 C   -3.113700      -1.764900     -0.4823000    
 C  -0.3513000       2.741900      4.5600001E-02
 C    2.765600     -0.5401000      0.4599000    
 C   -1.265600       3.607200     -0.4070000    
 H   -1.920300      0.6543000      1.9800000E-02
 H   -1.624600      0.2107000      -1.650600    
 H   0.1320000       1.936800      -1.888100    
 H    1.467700       2.046200     -0.7592000    
 H   -1.061000      -2.151800     -0.9809000    
 H   -3.313200      -2.816100     -0.2456000    
 H   -3.433800      -1.583500      -1.513800    
 H    2.938100      -1.243800      -1.461300    
 H    2.106700      8.5000005E-03   2.325900    
 H  -8.1900001E-02   2.813400       1.095500    
 H   -1.806200      -1.254100       1.612400    
 H   -1.744900       4.305000      0.2709000    
 H   -1.553900       3.633600      -1.451900    


%chk=000018624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018624

0 1
I -4.282959 -1.031062 1.292426
O -0.958693 -2.012933 0.812956
O 0.677362 -0.642964 -2.477191
O -0.187737 0.681458 2.101834
O 3.837940 -1.270273 0.870085
N 2.245470 -0.884009 -0.796660
N 1.838845 -0.192076 1.425305
C 0.150085 0.416648 -0.325717
C -1.349081 0.065561 -0.515067
C 0.408171 1.934163 -0.749879
C -1.628928 -1.446337 -0.368816
C 1.014249 -0.420851 -1.283699
C 0.544317 0.286894 1.154967
C -3.114280 -1.823226 -0.428176
C -0.509792 2.931993 -0.076301
C 2.721753 -0.811603 0.526676
C -1.286539 3.813152 -0.754295
H -1.928185 0.639232 0.229976
H -1.663254 0.392420 -1.522921
H 0.286266 1.986111 -1.847419
H 1.465962 2.180441 -0.520940
H -1.153313 -1.982372 -1.213286
H -3.248617 -2.912664 -0.358736
H -3.612052 -1.417913 -1.322619
H 2.851221 -1.382979 -1.456720
H 2.133847 -0.195602 2.407289
H -0.515117 2.932921 1.022040
H -1.403712 -1.653174 1.628145
H -1.914586 4.540966 -0.228887
H -1.314044 3.837275 -1.851268


