%chk=000060038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060038

0 1
 S  -0.9353000      -1.642500      0.9780000    
 S   -3.822200      -2.015400      0.4189000    
 O   -4.529900       3.599500     -5.7000000E-02
 O    7.031400       1.564400      0.1543000    
 N   -1.936700      -3.999800      6.0899999E-02
 N    1.939100     -0.5885000     -0.4461000    
 N   0.5252000       1.313800     -0.1869000    
 C   -2.939100      -4.959400     -0.4087000    
 C  -0.5740000      -4.539800      8.8500001E-02
 C   -2.270600      -2.684600      0.4402000    
 C  -0.4715000     -0.9274000     -0.6174000    
 C   0.6993000      3.8400002E-02 -0.4085000    
 C   -3.133300      -4.858700      -1.912100    
 C  -0.2509000      -5.146300       1.443500    
 C    3.232000     -4.2399999E-02 -0.2938000    
 C  -0.7512000       1.892300     -0.1534000    
 C    3.482900       1.271800     -0.6864000    
 C    4.255700     -0.8171000      0.2495000    
 C   -1.317100       2.392300      -1.324400    
 C   -1.449900       1.963600       1.049500    
 C   -3.289900       3.039100     -8.8699996E-02
 C    5.785100       1.037700      8.2999999E-03
 C    4.760000       1.812100     -0.5352000    
 C    5.532800     -0.2769000      0.4009000    
 C   -2.588000       2.966400      -1.291900    
 C   -2.720800       2.537700       1.082100    
 C   -5.441500       3.103800      0.9221000    
 C   -6.854500       3.248900      0.3984000    
 C    8.032900      0.7172000      0.7156000    
 H   -2.627200      -5.974100     -0.1350000    
 H   -3.894300      -4.788900      9.6400000E-02
 H   0.1621000      -3.770600     -0.1544000    
 H  -0.4739000      -5.302300     -0.6932000    
 H   -1.325200     -0.4291000      -1.080900    
 H  -0.1598000      -1.723100      -1.302400    
 H   -3.463600      -3.860000      -2.213100    
 H   -2.201400      -5.072200      -2.445900    
 H   -3.886400      -5.579800      -2.245000    
 H  -0.3274000      -4.408100       2.247400    
 H  -0.9363000      -5.966100       1.682500    
 H   0.7679000      -5.546200       1.445500    
 H    1.942200      -1.605700     -0.4715000    
 H    2.722900       1.893800      -1.147700    
 H    4.070600      -1.842400      0.5602000    
 H  -0.7774000       2.339300      -2.266200    
 H   -1.010000       1.587100       1.969200    
 H    4.952900       2.833900     -0.8505000    
 H    6.281900     -0.9334000      0.8302000    
 H   -3.026200       3.354800      -2.207200    
 H   -3.221000       2.600100       2.044000    
 H   -5.327400       3.682000       1.845700    
 H   -5.276500       2.039500       1.131800    
 H   -7.582600       2.887400       1.130100    
 H   -7.075100       4.296700      0.1693000    
 H   -6.980400       2.686700     -0.5329000    
 H    8.228300     -0.1518000      7.8100003E-02
 H    8.960400       1.297500      0.7581000    
 H    7.787600      0.4309000       1.743900    


%chk=000060038-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060038

0 1
S -1.650371 -1.943481 -0.304759
S 0.194507 -3.466179 -2.358131
O -4.446595 4.511294 0.841906
O 6.699543 0.850524 0.074783
N -1.108005 -4.597457 -0.239399
N 1.343437 -0.477836 -1.214975
N 0.107643 1.432545 -0.548531
C -0.546153 -5.922459 -0.635433
C -1.978903 -4.608135 0.971100
C -0.817944 -3.474741 -0.961466
C -1.063773 -0.589964 -1.502364
C 0.148797 0.203197 -1.022107
C 0.821464 -6.192997 0.022447
C -3.465584 -4.849145 0.634603
C 2.672196 -0.110995 -0.879316
C -1.082218 2.117214 -0.208393
C 3.027264 1.127206 -0.271040
C 3.698084 -1.047158 -1.177621
C -1.258619 3.449738 -0.688749
C -2.065393 1.592498 0.677004
C -3.364094 3.662609 0.540839
C 5.390343 0.462120 -0.270720
C 4.373400 1.400640 0.028294
C 5.048275 -0.770846 -0.879709
C -2.385767 4.206075 -0.331624
C -3.195486 2.353801 1.054422
C -5.474489 4.000737 1.765335
C -6.517406 5.104807 1.921750
C 7.776700 -0.092696 -0.221301
H -1.285614 -6.689062 -0.338738
H -0.449566 -5.936532 -1.733667
H -1.852679 -3.655605 1.515053
H -1.598072 -5.407980 1.631804
H -1.940780 0.064579 -1.608636
H -0.854507 -1.116144 -2.452321
H 1.557919 -5.441193 -0.307074
H 0.755374 -6.164098 1.125229
H 1.188654 -7.192303 -0.273226
H -3.860769 -4.036784 0.001980
H -3.604820 -5.806915 0.101917
H -4.060306 -4.885343 1.565202
H 1.233192 -1.409694 -1.646236
H 2.238878 1.848808 -0.051365
H 3.437252 -2.003383 -1.648526
H -0.491528 3.871190 -1.346202
H -1.921064 0.595412 1.110018
H 4.658144 2.348320 0.496082
H 5.811231 -1.515552 -1.125408
H -2.527087 5.224370 -0.707264
H -3.920202 1.919604 1.749971
H -5.005681 3.749517 2.739916
H -5.926579 3.077731 1.345031
H -7.319166 4.777755 2.608756
H -6.055716 6.019478 2.331155
H -6.970029 5.352404 0.946390
H 7.850590 -0.296279 -1.308154
H 8.696904 0.401076 0.124873
H 7.639873 -1.048195 0.323290


