%chk=000016280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016280

0 1
 I    3.668800       3.911300     -6.5899998E-02
 I    3.690200      -3.898700      5.6800000E-02
 O   -4.431900      0.1523000      -1.191700    
 O   -4.603300     -0.1376000       1.056200    
 N    1.756300      1.0000000E-03 -7.4000000E-03
 C    2.482300       1.156000     -0.4967000    
 C    2.498000      -1.144800      0.4803000    
 C   0.3458000     -2.7000001E-03  6.6999998E-03
 C  -0.3393000     -0.1583000       1.211700    
 C  -0.3638000      0.1504000      -1.184300    
 C    2.566000       2.209200      0.6013000    
 C    2.565300      -2.209900     -0.6073000    
 C   -1.734000     -0.1605000       1.225700    
 C   -1.758600      0.1481000      -1.170300    
 C   -2.443800     -7.3000002E-03  3.4699999E-02
 C   -3.898100     -8.7000001E-03  5.0200000E-02
 H    2.006300       1.571700      -1.393400    
 H    3.491200      0.8587000     -0.8109000    
 H    2.043100      -1.552700       1.391300    
 H    3.511800     -0.8394000      0.7701000    
 H   0.1968000     -0.2665000       2.150900    
 H   0.1538000      0.2615000      -2.133600    
 H    1.562500       2.529100      0.9045000    
 H    3.047200       1.790100       1.492800    
 H    1.557600      -2.538100     -0.8867000    
 H    3.026500      -1.798300      -1.512700    
 H   -2.249000     -0.2800000       2.175300    
 H   -2.271400      0.2679000      -2.120500    
 H   -5.412600      0.1505000      -1.170400    


%chk=000016280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016280

0 1
I 3.734527 3.816820 -1.196748
I 3.849247 -3.749804 1.243295
O -4.608726 0.879708 -0.794370
O -4.711828 -0.989150 0.583509
N 1.739315 -0.006179 -0.003049
C 2.501938 0.986015 -0.786252
C 2.519857 -0.969844 0.798203
C 0.331406 -0.030264 -0.017123
C -0.399483 -1.030126 0.703348
C -0.419184 0.944060 -0.751150
C 2.639844 2.304362 0.002316
C 2.721677 -2.284460 0.017043
C -1.800733 -1.045489 0.688878
C -1.821417 0.914550 -0.764348
C -2.536306 -0.077574 -0.044215
C -4.011108 -0.142022 -0.027575
H 2.021334 1.167314 -1.763132
H 3.505431 0.578231 -1.000956
H 2.025731 -1.166239 1.765414
H 3.503502 -0.526224 1.032795
H 0.122538 -1.803541 1.273513
H 0.087750 1.734604 -1.311417
H 1.667802 2.764800 0.231094
H 3.230726 2.183635 0.922888
H 1.772148 -2.781847 -0.228245
H 3.325198 -2.144573 -0.892565
H -2.352270 -1.812942 1.242196
H -2.379427 1.666125 -1.329876
H -5.595789 0.774353 -0.736769


