%chk=000134013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134013

0 1
 S   2.5599999E-02   2.496100     -0.9351000    
 O   0.6774000      -2.152600      -1.083300    
 O  -1.0100000E-02  -3.096800      0.9261000    
 O    1.912700      -1.446300       1.689500    
 O   -2.276300      -1.909800      0.1918000    
 N    1.066000      0.3346000      0.4196000    
 N   -1.186500      8.1000000E-02 -0.3997000    
 C   0.1096000      -1.896100      0.1944000    
 C    2.203600       1.174500      0.8202000    
 C   -2.455200      0.6481000     -0.8774000    
 C  -2.8200001E-02  0.9173000     -0.2982000    
 C    1.118600      -1.001600      0.8599000    
 C   -1.244400      -1.263100      1.1200000E-02
 C    3.366200       1.086900     -0.1629000    
 C   -3.300200       1.220300      0.2561000    
 C    4.563500       1.938700      0.2650000    
 C   -4.634600       1.787200     -0.2337000    
 C    5.727800       1.784800     -0.7011000    
 C   -5.480300       2.295100      0.9237000    
 C  -0.1555000      -2.998300      -1.866000    
 H    1.900100       2.214600      0.9692000    
 H    2.554800      0.8399000       1.804600    
 H   -2.295200       1.397700      -1.656500    
 H   -3.023400     -0.1548000      -1.365600    
 H    3.039100       1.396000      -1.162600    
 H    3.682800      4.0199999E-02 -0.2566000    
 H   -2.742200       2.007000      0.7781000    
 H   -3.492200      0.4384000       1.001400    
 H    4.889300       1.644100       1.269300    
 H    4.269300       2.993400      0.3141000    
 H   -5.192200       1.012300     -0.7724000    
 H   -4.453000       2.606900     -0.9382000    
 H  -0.9302000      -3.406900      0.8852000    
 H    5.443400       2.097800      -1.710800    
 H    6.571700       2.402700     -0.3788000    
 H    6.066000      0.7446000     -0.7459000    
 H   -4.962400       3.091500       1.467700    
 H   -6.427800       2.697800      0.5522000    
 H   -5.707000       1.488400       1.628000    
 H   0.4065000      -3.268200      -2.765500    
 H   -1.059500      -2.480000      -2.198300    
 H  -0.4088000      -3.927700      -1.347500    


%chk=000134013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134013

0 1
S -0.011325 2.489342 -0.624357
O 0.671733 -2.238471 -1.153326
O -0.139935 -3.208556 0.929484
O 2.036996 -1.583684 1.595496
O -2.338704 -1.986142 -0.081935
N 1.026203 0.250780 0.543423
N -1.210264 0.055628 -0.343488
C 0.073788 -2.016709 0.191585
C 2.210551 1.082289 0.935979
C -2.475536 0.687365 -0.837607
C -0.051132 0.851543 -0.134139
C 1.123430 -1.133191 0.872525
C -1.268088 -1.305719 -0.052644
C 3.292272 1.102381 -0.163454
C -3.314034 1.294741 0.305084
C 4.506759 1.957682 0.262125
C -4.600430 1.957658 -0.238477
C 5.605758 1.993019 -0.821477
C -5.472866 2.554694 0.886172
C 0.089824 -3.378452 -1.891685
H 1.849128 2.101721 1.145152
H 2.611732 0.632247 1.859202
H -2.191340 1.464114 -1.565879
H -3.043638 -0.110023 -1.345142
H 2.857380 1.511031 -1.095285
H 3.621407 0.066711 -0.373861
H -2.708823 2.050006 0.842601
H -3.581514 0.500100 1.027911
H 4.929903 1.555591 1.205049
H 4.170102 2.991321 0.481368
H -5.189916 1.208942 -0.805932
H -4.325160 2.755037 -0.957948
H -1.103765 -3.454854 0.817017
H 5.217024 2.416551 -1.766376
H 6.465403 2.610039 -0.502202
H 5.981610 0.975665 -1.038343
H -4.918473 3.327544 1.450716
H -6.386735 3.024232 0.479094
H -5.784772 1.772699 1.603456
H 0.644232 -3.398946 -2.841697
H -0.990073 -3.231192 -2.089655
H 0.250086 -4.319037 -1.337328


