%chk=000098154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098154

0 1
 O   -4.139300       2.785800      0.6654000    
 O   -5.423300       1.625800     -0.7894000    
 O  -0.6194000       1.464700      -1.339600    
 O    1.652400     -0.3850000       1.398700    
 N   -2.068900       1.198700      0.4575000    
 N    1.476100       1.715700      0.4296000    
 C   -3.223500      0.7530000     -0.2891000    
 C   -3.685300     -0.6323000      0.1814000    
 C   -2.609700      -1.684700      5.9099998E-02
 C   -4.368500       1.748800     -0.1754000    
 C  -0.8562000       1.519000     -0.1355000    
 C   -2.502100      -2.412400      -1.115600    
 C   -1.749200      -1.903600       1.123200    
 C   0.1492000       2.006700      0.8858000    
 C   -1.508300      -3.384600      -1.228800    
 C  -0.7554000      -2.875800       1.009700    
 C  -0.6349000      -3.616200     -0.1663000    
 C    2.132500      0.5243000      0.7270000    
 C    3.515200      0.3862000      0.2013000    
 C    4.403500     -0.4302000      0.8702000    
 C    3.866500       1.078400     -0.9390000    
 C    5.701600     -0.5601000      0.3767000    
 C    5.164600      0.9484000      -1.432500    
 C    6.082100      0.1292000     -0.7746000    
 H   -2.954000      0.7159000      -1.351700    
 H   -4.023100     -0.5819000       1.226100    
 H   -4.570000     -0.9494000     -0.3870000    
 H   -2.180500       1.329300       1.459000    
 H   -3.176000      -2.237100      -1.949200    
 H   -1.834500      -1.334700       2.044600    
 H   4.7699999E-02   3.090900      0.9907000    
 H  -1.6799999E-02   1.532400       1.858300    
 H   -1.413800      -3.960500      -2.144800    
 H  -7.5000003E-02  -3.056000       1.836900    
 H    1.950800       2.453600     -7.9000004E-02
 H   0.1394000      -4.372700     -0.2547000    
 H   -4.904100       3.398500      0.7092000    
 H    4.124600     -0.9697000       1.770400    
 H    3.173700       1.697000      -1.499600    
 H    6.416400      -1.197300      0.8892000    
 H    5.459300       1.478400      -2.333500    
 H    7.092300      2.6600000E-02  -1.159900    


%chk=000098154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098154

0 1
O -3.756059 2.441159 1.779708
O -5.176030 0.636542 1.457254
O -2.073104 2.248390 -1.772702
O 0.817711 1.391278 1.695904
N -1.729092 1.377196 0.372283
N 1.145083 1.987810 -0.519950
C -2.951435 0.585297 0.390690
C -2.699846 -0.889021 0.848932
C -1.789995 -1.643466 -0.106666
C -4.074702 1.191881 1.246168
C -1.375029 2.140663 -0.718451
C -2.295060 -2.148308 -1.332818
C -0.418755 -1.839720 0.193922
C -0.026793 2.881658 -0.546689
C -1.451190 -2.831982 -2.235414
C 0.431158 -2.521861 -0.706979
C -0.083421 -3.020743 -1.925411
C 1.525233 1.321112 0.628521
C 2.787578 0.508924 0.571149
C 2.993474 -0.454850 1.591692
C 3.773769 0.671722 -0.437558
C 4.150123 -1.260513 1.591044
C 4.932434 -0.134732 -0.437099
C 5.120695 -1.107309 0.572376
H -3.337087 0.577962 -0.648921
H -2.262488 -0.872454 1.865569
H -3.688705 -1.375768 0.924287
H -1.075207 1.361866 1.172628
H -3.355376 -2.009381 -1.579816
H -0.014792 -1.455471 1.138730
H 0.074959 3.578084 -1.392989
H -0.041534 3.452175 0.399414
H -1.858261 -3.218554 -3.176617
H 1.489030 -2.661817 -0.456033
H 1.596563 1.763782 -1.407300
H 0.571332 -3.553317 -2.624484
H -4.537080 2.775835 2.300217
H 2.237994 -0.543299 2.379455
H 3.670064 1.446019 -1.207279
H 4.297894 -2.003620 2.381981
H 5.691312 0.001819 -1.215032
H 6.020733 -1.731886 0.571083


