%chk=000020981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020981

0 1
 O   -2.750600       1.786700       1.595700    
 N   -3.003100     -6.3100003E-02  0.1863000    
 N    3.392100      0.6569000      0.7582000    
 N    3.348000      -1.276600     -0.6682000    
 N    5.351200     -0.2576000      8.2199998E-02
 N    5.377900       1.191400      -1.836800    
 N    7.334200      0.5168000     -0.8706000    
 C   -2.391800      -1.121300     -0.6302000    
 C   -4.439200     -3.5799999E-02  0.2235000    
 C   -2.135700      -2.396300      0.1665000    
 C   -5.033500      0.8306000     -0.8818000    
 C   -1.474000      -3.491300     -0.6731000    
 C   -6.562000      0.8846000     -0.8290000    
 C   -2.260700      0.8922000      0.9072000    
 C  -0.7910000      0.8313000      0.8685000    
 C   -1.176300      -4.727300      0.1616000    
 C   -7.122600       1.802400      -1.904100    
 C  -8.9599997E-02   1.527800     -0.1158000    
 C  -9.8999999E-02  7.6899998E-02   1.816000    
 C    1.303400       1.469800     -0.1526000    
 C    1.294000      1.8900000E-02   1.779300    
 C    1.995300      0.7153000      0.7949000    
 C    3.971000     -0.2819000      5.6200001E-02
 C    5.962000      0.4497000     -0.8337000    
 H   -3.050200      -1.329100      -1.482100    
 H   -1.449900     -0.7587000      -1.052100    
 H   -4.823900      -1.060400      0.1610000    
 H   -4.759100      0.3604000       1.194900    
 H   -3.085600      -2.773400      0.5660000    
 H   -1.508200      -2.181200       1.036600    
 H   -4.716700      0.4507000      -1.861000    
 H   -4.630600       1.848500     -0.8018000    
 H   -2.128300      -3.764900      -1.508700    
 H  -0.5378000      -3.114900      -1.101600    
 H   -6.887400       1.243500      0.1543000    
 H   -6.973200     -0.1229000     -0.9603000    
 H  -0.4947000      -4.490100      0.9847000    
 H  -0.7062000      -5.498000     -0.4572000    
 H   -2.095200      -5.145000      0.5852000    
 H   -8.215600       1.825200      -1.850700    
 H   -6.755000       2.825700      -1.777500    
 H   -6.838300       1.455900      -2.902800    
 H  -0.6192000       2.118000     -0.8591000    
 H  -0.6344000     -0.4640000       2.592000    
 H    1.841100       2.015700     -0.9234000    
 H    1.824200     -0.5704000       2.522900    
 H    3.892000      -1.966100      -1.175800    
 H    2.338800      -1.356600     -0.7224000    
 H    4.371200       1.247400      -1.945900    
 H    5.941700       1.709600      -2.501900    
 H    7.901500      2.0400001E-02 -0.1919000    
 H    7.819600       1.061000      -1.575300    


%chk=000020981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020981

0 1
O -2.509218 2.213865 0.413444
N -2.889418 -0.061912 0.135101
N 3.703216 0.825399 -0.471940
N 4.005842 -1.481924 -1.118943
N 5.874374 -0.194068 -0.711488
N 5.910224 2.124082 -0.091317
N 7.908435 0.866844 -0.375691
C -2.567820 -1.358749 -0.502285
C -4.322654 0.189017 0.432354
C -2.597160 -2.573233 0.455688
C -5.123225 0.704699 -0.787251
C -2.298429 -3.896739 -0.285580
C -6.615097 0.922185 -0.449214
C -2.038058 1.047845 0.179058
C -0.559476 0.867508 -0.031848
C -2.324508 -5.123630 0.651177
C -7.430911 1.433546 -1.656025
C 0.139175 1.908656 -0.702085
C 0.200217 -0.199570 0.515086
C 1.532720 1.859651 -0.866917
C 1.600285 -0.250462 0.366017
C 2.299602 0.772786 -0.348463
C 4.486159 -0.236298 -0.739446
C 6.527310 0.940222 -0.389832
H -3.301143 -1.536273 -1.317937
H -1.576372 -1.283141 -0.979134
H -4.766687 -0.752355 0.809562
H -4.371482 0.943556 1.236344
H -3.589202 -2.645917 0.944390
H -1.860211 -2.426160 1.269423
H -5.039257 -0.013690 -1.628913
H -4.672154 1.657596 -1.120722
H -3.039245 -4.036046 -1.099520
H -1.306446 -3.825869 -0.777121
H -6.695219 1.648123 0.385106
H -7.055192 -0.028093 -0.080959
H -1.573573 -5.022937 1.457115
H -2.107304 -6.057363 0.100891
H -3.315505 -5.236111 1.129759
H -8.492917 1.588969 -1.390523
H -7.029397 2.396371 -2.023612
H -7.393676 0.713060 -2.495124
H -0.436647 2.762286 -1.074704
H -0.296996 -0.975542 1.107319
H 2.062535 2.661296 -1.392294
H 2.167580 -1.052076 0.852843
H 4.691586 -2.188500 -1.372302
H 3.012129 -1.642340 -1.262231
H 4.852420 2.036492 -0.144104
H 6.419415 2.973129 0.144983
H 8.323280 -0.031899 -0.607199
H 8.498693 1.660113 -0.144634


