%chk=000126551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126551

0 1
 I    3.452900       2.605400     -0.3022000    
 O    5.349700      -1.430500      0.1815000    
 O    5.262900      0.7480000     -7.5499997E-02
 N   -3.032200      8.8100001E-02 -3.8699999E-02
 N   -5.835200     -0.4155000      0.1573000    
 N  -0.8654000     -0.8564000      8.3099999E-02
 N    4.703300     -0.3653000      5.2999999E-02
 C   -3.591100      -1.172300     -0.5463000    
 C   -3.831800      0.7725000      0.9832000    
 C   -5.056200     -0.9878000     -0.9398000    
 C   -5.288900      0.8865000      0.5360000    
 C   -1.641400      0.2436000     -5.0600000E-02
 C   -1.149400       1.524600     -0.1983000    
 C   0.4715000     -0.6977000      7.1000002E-02
 C    1.069200      0.5718000     -7.5000003E-02
 C   0.2287000       1.685100     -0.2099000    
 C    2.468400      0.7007000     -8.3300002E-02
 C    1.306800      -1.803200      0.2050000    
 C    3.279900     -0.4221000      5.2400000E-02
 C    2.698000      -1.675500      0.1969000    
 H   -3.500700      -1.950300      0.2225000    
 H   -3.037700      -1.510600      -1.431400    
 H   -3.456100       1.781800       1.186100    
 H   -3.768600      0.2103000       1.923800    
 H   -5.132000     -0.3451000      -1.826000    
 H   -5.481100      -1.960200      -1.211800    
 H   -5.885700       1.299300       1.356700    
 H   -5.372500       1.585900     -0.3053000    
 H   -6.803000     -0.3000000     -0.1421000    
 H   -1.794000       2.388600     -0.3196000    
 H   0.5936000       2.698600     -0.3308000    
 H   0.8747000      -2.795800      0.3194000    
 H    3.280400      -2.586900      0.3068000    


%chk=000126551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126551

0 1
I 3.458539 2.657127 0.334877
O 5.317188 -1.558291 -0.213298
O 5.290416 0.575422 -1.020845
N -3.088723 0.037174 0.539220
N -5.760259 -0.313495 -0.383372
N -0.934678 -0.803548 0.148954
N 4.702957 -0.456632 -0.516943
C -3.652740 -1.326243 0.386058
C -4.111076 1.068973 0.807421
C -4.738314 -1.331195 -0.710900
C -5.193589 1.045600 -0.298873
C -1.727811 0.268615 0.428690
C -1.148671 1.587089 0.608570
C 0.421221 -0.639633 0.022011
C 1.085233 0.651073 0.167332
C 0.219405 1.757636 0.478766
C 2.505375 0.745846 -0.002708
C 1.214329 -1.799324 -0.258701
C 3.241356 -0.421212 -0.297294
C 2.588576 -1.691957 -0.404170
H -4.113273 -1.629074 1.347440
H -2.825705 -2.008392 0.142019
H -3.660411 2.070193 0.861089
H -4.596458 0.850128 1.779628
H -4.244840 -1.150623 -1.697109
H -5.215324 -2.327140 -0.741352
H -5.994347 1.759815 -0.034297
H -4.723006 1.386417 -1.254819
H -6.598421 -0.369715 -0.972931
H -1.769117 2.452307 0.849785
H 0.652928 2.753054 0.613053
H 0.701261 -2.759640 -0.353591
H 3.214979 -2.564754 -0.605608


