%chk=000023694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023694

0 1
 S  -0.7672000       1.188500     -0.1568000    
 O  -0.5299000       2.532800      0.3411000    
 O  -0.7396000      0.9127000      -1.583200    
 N   -4.744000      0.9574000      0.4421000    
 N   -5.786400       1.742400     -0.1359000    
 C   0.4154000      0.1119000      0.6207000    
 C   -2.313000      0.6268000      0.4845000    
 C   0.1442000      -1.330400      0.2580000    
 C    1.814600      0.6073000      0.3395000    
 C   -3.468900       1.439900     -7.4199997E-02
 C  -0.3089000      -2.201000       1.235100    
 C    2.772400      0.5379000       1.338200    
 C   0.3545000      -1.752400      -1.044200    
 C    2.113300       1.121900     -0.9115000    
 C  -0.5588000      -3.531800      0.9005000    
 C    4.064200      0.9959000       1.078600    
 C   0.1045000      -3.083200      -1.378900    
 C    3.405100       1.579700      -1.171200    
 C  -0.3521000      -3.972900     -0.4065000    
 C    4.380500       1.516700     -0.1759000    
 H   0.2271000      0.2609000       1.694000    
 H   -2.436300     -0.4240000      0.2080000    
 H   -2.269100      0.7080000       1.575500    
 H   -3.331000       2.495000      0.1953000    
 H   -3.455500       1.382900      -1.170800    
 H  -0.4746000      -1.869800       2.256000    
 H    2.537200      0.1319000       2.317700    
 H   0.7252000      -1.100100      -1.825600    
 H    1.436000       1.170500      -1.749000    
 H   -4.875700     -2.0000000E-02  0.1842000    
 H  -0.9145000      -4.224600       1.657500    
 H    4.824000      0.9457000       1.853100    
 H   0.2692000      -3.428200      -2.395500    
 H    3.655600       1.976800      -2.150700    
 H  -0.5457000      -5.009400     -0.6668000    
 H    5.386900       1.870900     -0.3788000    
 H   -5.857800       1.533000      -1.131300    
 H   -6.676000       1.458600      0.2726000    


%chk=000023694-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023694

0 1
S -0.826236 1.209211 -0.334060
O -0.773566 2.678644 0.392152
O -0.586153 1.103027 -1.960054
N -4.972978 1.003214 -0.256194
N -5.318744 1.237991 1.101712
C 0.607395 -0.077141 0.655886
C -2.599617 0.495454 -0.021942
C 0.262940 -1.470279 0.253076
C 1.926813 0.557919 0.351790
C -3.619864 1.474243 -0.618974
C -0.678772 -2.188782 1.047770
C 2.719212 1.006416 1.444083
C 0.823248 -2.120191 -0.882029
C 2.410696 0.754252 -0.973207
C -1.050267 -3.507980 0.721226
C 3.985289 1.589300 1.227328
C 0.448340 -3.439975 -1.209411
C 3.670600 1.351334 -1.185431
C -0.489680 -4.139237 -0.414645
C 4.468455 1.758051 -0.090684
H 0.271217 0.149113 1.681564
H -2.609164 -0.492127 -0.504295
H -2.708325 0.431358 1.072339
H -3.403997 2.500448 -0.249333
H -3.539928 1.477174 -1.721485
H -1.106407 -1.709464 1.938064
H 2.340901 0.890771 2.466936
H 1.561688 -1.603175 -1.498887
H 1.771969 0.511696 -1.828217
H -5.687717 1.277194 -0.946874
H -1.769095 -4.044586 1.350009
H 4.586445 1.920874 2.080973
H 0.889927 -3.925428 -2.086613
H 4.024007 1.514524 -2.209540
H -0.775486 -5.164915 -0.672449
H 5.447733 2.218452 -0.262998
H -5.666758 2.173237 1.348627
H -5.809224 0.457583 1.539186


