%chk=000049043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049043

0 1
 S   -2.821900      -1.340600      -1.492000    
 O   0.3028000      0.9278000     -0.1690000    
 O  -0.6572000      0.9398000      -2.261100    
 N    3.984300      0.7021000     -0.1970000    
 C    2.641800      0.8065000      0.3551000    
 C    4.981800       1.150900      0.7773000    
 C    4.267800     -0.6735000     -0.6134000    
 C    1.605500      0.8425000     -0.7568000    
 C    4.976300      0.2690000       2.014400    
 C    5.640900     -0.7810000      -1.254700    
 C   -1.917800      -2.647000      0.8067000    
 C   -2.978100      -2.696900     -0.2931000    
 C  -0.4843000      -2.780500      0.2856000    
 C   -2.023900       1.057500     -0.3109000    
 C   -3.020600      8.9500003E-02 -0.4354000    
 C  -0.7577000      0.9703000      -1.029900    
 C   0.5176000      -2.826000       1.429400    
 C   -2.220300       2.157400      0.5243000    
 C   -4.213600      0.2215000      0.2755000    
 C   -3.413400       2.289300       1.234900    
 C   -4.409900       1.321400       1.110500    
 H    2.522900       1.734800      0.9309000    
 H    2.396900     -7.6000001E-03   1.049700    
 H    5.986100       1.205000      0.3441000    
 H    4.758500       2.184400       1.072800    
 H    3.554400     -0.9700000      -1.390600    
 H    4.154600      -1.415100      0.1854000    
 H    1.637000     -6.2500000E-02  -1.371700    
 H    1.766200       1.716900      -1.399100    
 H    4.006000      0.2227000       2.516400    
 H    5.328900     -0.7483000       1.823900    
 H    5.673800      0.6941000       2.746700    
 H    5.798800     -1.1000000E-03  -2.007700    
 H    6.452500     -0.7358000     -0.5224000    
 H    5.732400      -1.747000      -1.764200    
 H   -2.116400      -3.478400       1.495600    
 H   -2.015000      -1.734700       1.406500    
 H   -3.978600      -2.682300      0.1508000    
 H   -2.892000      -3.638800     -0.8458000    
 H  -0.2221000      -1.944100     -0.3686000    
 H  -0.3901000      -3.697600     -0.3076000    
 H   0.4699000      -1.910500       2.027600    
 H    1.535300      -2.921800       1.037600    
 H   0.3251000      -3.679000       2.087700    
 H   -1.456000       2.923400      0.6299000    
 H   -5.011500     -0.5117000      0.1892000    
 H   -3.567100       3.146400       1.884000    
 H   -5.339800       1.425800       1.661900    


%chk=000049043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049043

0 1
S -1.629860 -1.707694 -0.928468
O 0.890747 2.045414 -0.361376
O 0.678463 -0.167178 -1.066435
N 4.620279 1.414002 -0.220147
C 3.238170 1.514292 0.300386
C 5.669328 1.907530 0.704961
C 4.898612 0.109780 -0.876967
C 2.309047 2.023039 -0.821337
C 5.916285 1.055219 1.980536
C 6.119024 0.150071 -1.814798
C -3.441514 -3.445635 0.535399
C -3.210152 -2.766747 -0.828728
C -2.384850 -4.520741 0.877928
C -1.220979 0.956589 -0.015739
C -2.145133 -0.138008 -0.125264
C 0.170565 0.852121 -0.528573
C -2.630495 -5.169847 2.256449
C -1.642391 2.171598 0.594947
C -3.457378 0.039233 0.389818
C -2.945032 2.328530 1.096563
C -3.854023 1.250385 0.988733
H 3.210588 2.230770 1.141567
H 2.849254 0.543189 0.682539
H 6.614678 1.999640 0.138492
H 5.389415 2.936105 1.003618
H 4.002913 -0.157778 -1.467689
H 5.028988 -0.712678 -0.130040
H 2.387608 1.381575 -1.715548
H 2.536512 3.068335 -1.078870
H 4.994836 0.961199 2.584685
H 6.265340 0.037199 1.729767
H 6.689646 1.530128 2.612865
H 6.003619 0.958925 -2.557948
H 7.062258 0.319426 -1.264284
H 6.216472 -0.811125 -2.352202
H -4.446248 -3.920276 0.520021
H -3.463715 -2.687454 1.342270
H -4.066528 -2.153154 -1.157399
H -3.027943 -3.524851 -1.612313
H -1.378636 -4.059049 0.853727
H -2.393350 -5.301921 0.090287
H -2.590030 -4.413271 3.062683
H -1.869511 -5.939944 2.478740
H -3.624537 -5.654464 2.299823
H -0.916002 2.985484 0.658608
H -4.188351 -0.769647 0.326829
H -3.249344 3.270969 1.562601
H -4.875847 1.347916 1.372681


