%chk=000148777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148777

0 1
 S    4.110400     -0.1032000      0.1855000    
 P   -2.628800      4.4000000E-02  2.0099999E-02
 O   -4.198500      0.1115000     -0.3603000    
 O   -2.445200      -1.330800      0.8492000    
 O   -2.404300       1.217900       1.107100    
 O    4.670000      -1.325500     -0.3746000    
 O    4.720900       1.181400     -0.1280000    
 N   -1.644600      0.1467000      -1.239900    
 N    4.018900     -0.2666000       1.883800    
 C    2.417200     -2.9700000E-02 -0.2335000    
 C  -0.2858000      8.7700002E-02 -0.9037000    
 C    1.717700      -1.202600     -0.5178000    
 C    1.764200       1.201800     -0.2848000    
 C   0.3650000      -1.143700     -0.8533000    
 C   0.4114000       1.260500     -0.6201000    
 C   -4.755600     -0.8644000      -1.223200    
 C   -3.256300      -1.549900       1.990200    
 C   -2.576600       2.564900      0.7032000    
 H    2.204400      -2.173000     -0.4779000    
 H    2.288500       2.127400     -6.4300001E-02
 H  -0.1724000      -2.062500      -1.072800    
 H  -7.9400003E-02   2.227600     -0.6696000    
 H    4.271000      -1.176000       2.289600    
 H    4.304200      0.5374000       2.456200    
 H   -4.600700      -1.865700     -0.8139000    
 H   -4.291300     -0.7922000      -2.210000    
 H   -5.828100     -0.6787000      -1.317700    
 H   -3.014100      -2.531300       2.405500    
 H   -4.314500      -1.533900       1.719200    
 H   -3.054000     -0.7877000       2.747000    
 H   -2.482800       2.676000     -0.3803000    
 H   -1.820400       3.180700       1.196000    
 H   -3.569000       2.902300       1.012700    


%chk=000148777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148777

0 1
S 4.418502 -0.566477 -0.106776
P -2.828117 -0.030829 0.342688
O -4.266456 0.247869 -0.551189
O -2.874653 -1.630057 0.984899
O -3.232848 0.847396 1.778660
O 4.667028 -1.985796 0.658227
O 5.088199 -0.198100 -1.547148
N -1.561305 0.367049 -0.601966
N 5.000297 0.765501 1.041375
C 2.576733 -0.292029 -0.225051
C -0.188831 0.107373 -0.413840
C 1.735765 -1.014141 0.638403
C 2.095132 0.608055 -1.191979
C 0.346326 -0.815044 0.538118
C 0.705785 0.803186 -1.281953
C -4.261389 0.042972 -2.022389
C -4.002189 -2.057704 1.857464
C -3.446950 2.312352 1.683608
H 2.158967 -1.732813 1.347670
H 2.787611 1.123837 -1.864612
H -0.334683 -1.384847 1.180200
H 0.284025 1.492346 -2.019072
H 5.327169 0.309698 1.910459
H 5.753540 1.276902 0.550016
H -4.335452 -1.033622 -2.255285
H -3.343608 0.467694 -2.462545
H -5.155955 0.574636 -2.379387
H -3.833682 -3.134111 2.010822
H -4.968714 -1.886212 1.352188
H -3.967764 -1.511495 2.813688
H -2.540042 2.815569 1.303664
H -3.649964 2.629527 2.717140
H -4.311077 2.531715 1.033501


