%chk=000021182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021182

0 1
 S    3.334200       2.592800      0.3259000    
 N   -3.736500      0.7727000      0.2169000    
 N   0.9429000      -2.784500     -0.1488000    
 C   -2.553800      7.1999997E-02 -0.2919000    
 C   -1.704000     -0.4892000      0.8806000    
 C  -0.4687000      -1.187000      0.4696000    
 C   0.8155000     -0.6009000      0.2904000    
 C   -3.019900      -1.030500      -1.243000    
 C    1.682700      -1.624600     -9.7400002E-02
 C  -0.3584000      -2.530100      0.1921000    
 C    1.325100      0.7063000      0.4215000    
 C   -4.490500       1.363300     -0.8868000    
 C   -3.343400       1.800200       1.178600    
 C    3.039400      -1.405600     -0.3617000    
 C    2.680000      0.9403000      0.1602000    
 C    3.522200     -0.1009000     -0.2252000    
 C    2.333100       3.505700     -0.8810000    
 H   -1.918600      0.7628000     -0.8656000    
 H   -2.321400      -1.171400       1.481700    
 H   -1.389000      0.3088000       1.561800    
 H   -3.487300     -0.6390000      -2.151800    
 H   -3.724000      -1.714500     -0.7555000    
 H   -2.178900      -1.628000      -1.606500    
 H   -1.086500      -3.329300      0.2079000    
 H    1.308400      -3.692200     -0.4014000    
 H   0.6642000       1.512600      0.7281000    
 H   -5.015200      0.6084000      -1.480100    
 H   -3.863600       1.974000      -1.546900    
 H   -5.289100       2.010000     -0.5022000    
 H   -4.196600       2.446300       1.420800    
 H   -2.541000       2.446400      0.8039000    
 H   -3.051500       1.369100       2.141200    
 H    3.695700      -2.215500     -0.6618000    
 H    4.575400      8.3400004E-02 -0.4277000    
 H    2.703100       4.532200     -0.9491000    
 H    1.285000       3.535500     -0.5725000    
 H    2.409100       3.040900      -1.867800    


%chk=000021182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021182

0 1
S 2.853110 2.863530 0.455248
N -3.758559 0.791324 0.353023
N 1.080229 -2.863771 -0.107389
C -2.571568 0.077464 -0.217689
C -1.911383 -0.816519 0.884456
C -0.574147 -1.391519 0.488737
C 0.673940 -0.659295 0.323653
C -2.950767 -0.804450 -1.424743
C 1.691755 -1.608284 -0.050531
C -0.280226 -2.727911 0.218526
C 1.029288 0.709345 0.464029
C -4.658521 1.384117 -0.663311
C -3.376933 1.826829 1.341822
C 3.033139 -1.227569 -0.279143
C 2.364720 1.092537 0.236518
C 3.359260 0.134444 -0.127676
C 2.850117 3.413193 -1.357273
H -1.808536 0.825360 -0.562580
H -2.628510 -1.623465 1.125307
H -1.782545 -0.225903 1.810201
H -3.239300 -0.211601 -2.309318
H -3.788273 -1.477021 -1.159114
H -2.082892 -1.425339 -1.706547
H -0.940188 -3.593616 0.241030
H 1.547336 -3.738688 -0.333346
H 0.286850 1.461682 0.749555
H -5.076223 0.604350 -1.319083
H -4.160043 2.154298 -1.306561
H -5.504138 1.872751 -0.146506
H -4.289568 2.296104 1.750164
H -2.739866 2.637044 0.900774
H -2.827161 1.386344 2.189046
H 3.802434 -1.957542 -0.554332
H 4.390902 0.471095 -0.274389
H 3.151562 4.472976 -1.362993
H 1.840033 3.304208 -1.780767
H 3.572769 2.813996 -1.932298


