%chk=000035906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035906

0 1
 O  -0.3072000      0.7329000     -6.9300003E-02
 O    1.029800      0.1257000       1.683900    
 N   -3.924900     -9.7000003E-03  0.3234000    
 N    1.880500      0.4460000     -0.4735000    
 C   -5.118800      0.5021000     -0.3490000    
 C   -2.717700      0.6318000     -0.2129000    
 C   -3.849900      -1.472200      0.1971000    
 C   -1.462900      0.1422000      0.5158000    
 C   -2.634000      -2.031000      0.9391000    
 C   -1.344900      -1.378500      0.4568000    
 C   -6.354200     -0.1291000      0.3019000    
 C   -5.157200       2.024900     -0.1832000    
 C   -5.061500      0.1352000      -1.836500    
 C   0.8995000      0.4043000      0.4981000    
 C    3.260900      0.1787000     -0.3286000    
 C    4.127400       1.214200     -7.4999998E-03
 C    3.729100      -1.115100     -0.5105000    
 C    5.489800      0.9507000      0.1344000    
 C    5.091600      -1.378600     -0.3685000    
 C    3.641500       2.613500      0.1913000    
 C    2.811200      -2.242600     -0.8564000    
 C    5.971800     -0.3455000     -4.5899998E-02
 H   -2.721700       1.718100     -7.7900000E-02
 H   -2.559000      0.4491000      -1.281200    
 H   -3.760900      -1.810500     -0.8403000    
 H   -4.714900      -1.971700      0.6425000    
 H   -1.526700      0.4680000       1.563600    
 H  -0.5123000      -1.749500       1.063400    
 H   -1.128300      -1.693800     -0.5725000    
 H   -2.575600      -3.115800      0.7927000    
 H   -2.749700      -1.860000       2.017000    
 H   -6.315800     -6.3100003E-02   1.395800    
 H   -7.262700      0.3991000     -1.3700000E-02
 H   -6.511600      -1.175300      1.9200001E-02
 H   -4.449700       2.553200     -0.8313000    
 H   -4.980100       2.327600      0.8559000    
 H   -6.146900       2.411900     -0.4572000    
 H   -5.111900     -0.9379000      -2.041300    
 H   -5.950800      0.5513000      -2.331000    
 H   -4.217300      0.5622000      -2.383500    
 H    1.586000      0.6951000      -1.414400    
 H    6.189600       1.743200      0.3860000    
 H    5.484400      -2.382700     -0.5046000    
 H    4.468800       3.313600      0.3510000    
 H    3.092700       2.960100     -0.6907000    
 H    2.989200       2.669800       1.068900    
 H    2.238900      -2.010700      -1.760800    
 H    3.360300      -3.170100      -1.052200    
 H    2.119100      -2.437900     -3.0800000E-02
 H    7.032600     -0.5509000      6.4999998E-02


%chk=000035906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035906

0 1
O -0.203813 -1.405553 -0.358536
O 0.564539 0.346888 1.031425
N -3.739235 -0.195727 0.216202
N 1.935805 -0.714802 -0.585058
C -4.534655 1.070652 -0.030913
C -2.372332 -0.207676 -0.361038
C -4.426549 -1.474717 -0.098648
C -1.549978 -1.341375 0.287591
C -3.669480 -2.660208 0.540466
C -2.200143 -2.708193 0.060529
C -5.869468 0.989021 0.758502
C -3.739602 2.282003 0.527182
C -4.839637 1.298861 -1.543441
C 0.762629 -0.493587 0.119963
C 3.188724 -0.042938 -0.379101
C 3.282567 1.376895 -0.465221
C 4.340331 -0.853836 -0.146473
C 4.555573 1.969889 -0.270236
C 5.593249 -0.220418 0.021264
C 2.081903 2.243693 -0.783914
C 4.222181 -2.366253 -0.069647
C 5.702860 1.186326 -0.028237
H -1.867261 0.746904 -0.153232
H -2.373420 -0.375407 -1.468596
H -4.499057 -1.648628 -1.204309
H -5.452151 -1.448261 0.301739
H -1.417374 -1.119697 1.362225
H -1.632846 -3.496462 0.587757
H -2.165160 -2.939937 -1.022654
H -4.180333 -3.607869 0.283772
H -3.702389 -2.546556 1.640864
H -5.672675 0.705463 1.807886
H -6.367181 1.975166 0.748835
H -6.579032 0.263477 0.322818
H -2.854161 2.531657 -0.083541
H -3.403914 2.073815 1.558520
H -4.387003 3.177157 0.540429
H -5.428633 0.463098 -1.964406
H -5.423627 2.227290 -1.683145
H -3.907504 1.395611 -2.130120
H 1.921157 -1.537963 -1.191587
H 4.641931 3.061247 -0.328252
H 6.482165 -0.835130 0.204938
H 2.399992 3.251980 -1.099033
H 1.472313 1.801034 -1.593834
H 1.420604 2.337055 0.096402
H 3.972236 -2.818425 -1.051168
H 5.173772 -2.815941 0.259405
H 3.432576 -2.674515 0.640561
H 6.677103 1.667194 0.112665


