%chk=000004848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004848

0 1
 O    1.022400      -1.393100       1.477300    
 O   -2.306500       1.380300      -2.913300    
 N    2.851600      0.2604000      0.6228000    
 N    5.256800     -0.1027000     -0.9398000    
 N  -0.7316000     -0.1584000      0.5209000    
 N   -2.634600     -0.5525000      -1.750000    
 N   -1.450600      -2.286000       1.314500    
 C    2.853000     -0.5608000     -0.5940000    
 C    3.866100       1.317200      0.5285000    
 C    4.241200      -1.158800     -0.8471000    
 C    5.254400      0.7191000      0.2767000    
 C    1.527600      0.8316000      0.8620000    
 C    6.580600     -0.6749000      -1.177200    
 C   0.5759000     -0.3389000       1.015100    
 C   -1.376200       1.112400      0.4839000    
 C   -1.602300      -1.292400      0.3919000    
 C   -2.135500       1.554000     -0.6001000    
 C   -2.497500      -1.438000     -0.6692000    
 C   -1.261500       1.961500       1.604200    
 C   -2.317500      0.7808000      -1.838100    
 C   -2.732200       2.828300     -0.5741000    
 C   -3.231200      -2.631900     -0.7626000    
 C   -1.862900       3.220300       1.631100    
 C   -2.596400       3.656400      0.5373000    
 C   -3.096900      -3.627500      0.1923000    
 C   -2.196100      -3.406400       1.207100    
 H    2.557000      4.3299999E-02  -1.463500    
 H    2.160300      -1.406600     -0.5553000    
 H    3.899700       1.883100       1.467300    
 H    3.619300       2.027700     -0.2723000    
 H    4.208400      -1.721000      -1.788400    
 H    4.487500      -1.871800     -4.8599999E-02
 H    5.565400      0.1283000       1.149200    
 H    5.970200       1.543000      0.1686000    
 H    1.527600       1.395200       1.800600    
 H    1.228400       1.489300      3.8800001E-02
 H    6.589100      -1.249800      -2.109900    
 H    6.899700      -1.334900     -0.3624000    
 H    7.327500      0.1186000      -1.290700    
 H  -0.7161000       1.639300       2.488900    
 H   -3.054500     -0.9482000      -2.588200    
 H   -3.318600       3.187900      -1.416900    
 H   -3.919100      -2.793800      -1.590300    
 H   -1.760200       3.853200       2.507400    
 H   -3.066800       4.634900      0.5492000    
 H   -3.667900      -4.546100      0.1321000    
 H   -2.033300      -4.146600       1.982900    


%chk=000004848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004848

0 1
O 0.847406 -1.898833 0.469865
O -2.418038 1.179240 -2.935464
N 2.861553 0.117408 0.265922
N 5.531444 0.164636 -0.855694
N -0.878723 -0.345322 0.620598
N -2.542759 -0.741750 -1.677138
N -1.969951 -2.171649 1.729215
C 3.143651 -0.491669 -1.059228
C 3.788893 1.244013 0.536462
C 4.604047 -0.962350 -1.124686
C 5.246104 0.759828 0.470461
C 1.461652 0.505444 0.454732
C 6.946127 -0.225804 -1.002141
C 0.496015 -0.694476 0.528204
C -1.400095 0.999644 0.598192
C -1.862719 -1.399616 0.624522
C -2.088566 1.468254 -0.555657
C -2.661113 -1.579397 -0.540739
C -1.241855 1.842790 1.722911
C -2.327717 0.645025 -1.787446
C -2.558481 2.807375 -0.581052
C -3.562005 -2.675784 -0.555197
C -1.726128 3.166978 1.689649
C -2.378291 3.653659 0.530479
C -3.644851 -3.511365 0.575796
C -2.844161 -3.215002 1.703862
H 2.960603 0.242026 -1.885209
H 2.476282 -1.358378 -1.193203
H 3.582206 1.642622 1.548339
H 3.656228 2.076482 -0.200851
H 4.814758 -1.359813 -2.135340
H 4.743598 -1.793335 -0.387962
H 5.417014 0.024473 1.298328
H 5.925805 1.618831 0.628023
H 1.383784 1.068659 1.404114
H 1.083852 1.200279 -0.343482
H 7.122872 -0.606075 -2.024519
H 7.265106 -1.019528 -0.278685
H 7.594149 0.656289 -0.848652
H -0.749839 1.443850 2.615833
H -2.789026 -1.158031 -2.582699
H -3.052735 3.161384 -1.491166
H -4.186999 -2.860981 -1.436528
H -1.598814 3.815062 2.563377
H -2.749027 4.683354 0.499573
H -4.326424 -4.367127 0.591922
H -2.891129 -3.826323 2.610961


