%chk=000040020.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040020

0 1
 S   -2.619800       1.122600     -0.5015000    
 O    5.685400     -0.1721000     -2.3800001E-02
 O    3.603300      -1.026000     -0.7703000    
 O    1.313300     -0.6829000       1.050900    
 N    2.271000       1.260500      0.1865000    
 N   -2.905300      -1.139100      0.6682000    
 N  -4.8099998E-02  0.8933000      4.9999999E-03
 N   -1.550900     -0.8595000      0.7213000    
 C   -5.036700     -0.1799000     -0.1631000    
 C   -3.576800     -0.1866000      5.7100002E-02
 C   -5.819000       1.023300      0.4834000    
 C   -5.408900     -0.1166000      -1.686900    
 C   -5.732900      -1.460100      0.4207000    
 C    3.613800      0.9383000      0.5953000    
 C    4.368200      0.1520000     -0.4781000    
 C   -1.295000      0.2766000      0.1505000    
 C    1.173600      0.3880000      0.4565000    
 C    2.090100       2.532100     -0.5219000    
 C    5.689700     -0.9604000       1.158400    
 C    4.184900      -1.803700      -1.808200    
 H   -5.491100       1.982100      6.6699997E-02
 H   -5.640600       1.056600       1.564500    
 H   -6.899100      0.9397000      0.3180000    
 H   -5.086700      0.8243000      -2.146700    
 H   -6.491300     -0.2028000      -1.836800    
 H   -4.929100     -0.9367000      -2.233800    
 H   -5.575500      -1.530300       1.503300    
 H   -5.321000      -2.367600     -3.5999998E-02
 H   -6.812800      -1.453700      0.2350000    
 H    4.156700       1.847400      0.8788000    
 H    3.521400      0.3420000       1.509300    
 H    4.458300      0.7549000      -1.389400    
 H  -9.4499998E-02   1.785000     -0.4737000    
 H    3.053400       3.024300     -0.6852000    
 H    1.629000       2.343800      -1.496000    
 H    1.450800       3.188000      7.6300003E-02
 H    4.971400      -1.784300       1.122200    
 H    6.689300      -1.393000       1.263000    
 H    5.517000     -0.3362000       2.039600    
 H    4.286200      -1.210300      -2.722100    
 H    5.158300      -2.200200      -1.506200    
 H    3.520400      -2.647200      -2.014800    


%chk=000040020-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040020

0 1
S -2.568604 0.429043 -1.172998
O 5.743132 -0.364907 0.128040
O 3.801733 -0.499260 -1.321852
O 0.924265 -0.850132 1.155823
N 2.232485 1.015363 0.589350
N -3.279523 0.095427 1.381648
N -0.054228 0.969569 0.001837
N -1.921280 0.447252 1.436591
C -5.253915 -0.243562 -0.169156
C -3.802695 0.059686 0.162290
C -5.874554 0.963512 -0.933172
C -5.321487 -1.518710 -1.061509
C -6.039429 -0.486945 1.147037
C 3.477811 0.310065 0.920696
C 4.467958 0.232591 -0.261341
C -1.386406 0.644543 0.234133
C 1.040508 0.289340 0.636946
C 2.312233 2.439109 0.231022
C 5.649578 -1.741651 0.656548
C 4.543277 -0.487107 -2.592668
H -5.350766 1.153538 -1.887963
H -5.827421 1.883169 -0.323108
H -6.935365 0.750361 -1.159326
H -4.785742 -1.372989 -2.017408
H -6.376859 -1.755377 -1.289657
H -4.873939 -2.385431 -0.543798
H -6.006762 0.401243 1.800347
H -5.611916 -1.331132 1.713432
H -7.093492 -0.714686 0.903443
H 3.994275 0.815652 1.760365
H 3.193119 -0.704859 1.242212
H 4.779796 1.237873 -0.616743
H 0.153073 1.592323 -0.779895
H 3.170129 2.894201 0.757381
H 2.457984 2.606271 -0.857115
H 1.402165 2.969681 0.558494
H 4.959957 -2.354015 0.046893
H 6.671282 -2.146954 0.593773
H 5.318134 -1.746653 1.712082
H 4.661668 0.549134 -2.972507
H 5.543325 -0.943786 -2.476095
H 3.936896 -1.075189 -3.298071


