%chk=000048201.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048201

0 1
 S   -1.114900      4.0000002E-03 -0.5612000    
 O   -1.300200       1.390100     -0.9146000    
 O   -1.160600      -1.050400      -1.544300    
 O    2.390800       1.136500     -0.5967000    
 N    1.647800     -0.6325000      -1.836600    
 C   0.4817000     -0.1173000      0.2624000    
 C   0.5025000      0.8756000       1.457600    
 C   0.6415000      -1.555100      0.8296000    
 C   -2.241800     -0.3973000      0.7440000    
 C    1.599300      0.2063000     -0.7439000    
 C   0.2660000       2.340800       1.102800    
 C    1.965300      -1.843800       1.531400    
 C   -3.677200     -0.3569000      0.2694000    
 H    1.502800      0.8405000       1.909700    
 H  -0.1796000      0.5785000       2.260300    
 H  -0.1342000      -1.774200       1.568200    
 H   0.5183000      -2.298500      3.3000000E-02
 H   -2.042400      -1.406800       1.101800    
 H   -2.128900      0.3195000       1.557400    
 H  -0.8017000       2.579800       1.098800    
 H   0.7075000       2.657900      0.1566000    
 H   0.7032000       2.972000       1.885900    
 H    2.081900      -1.247500       2.440600    
 H    2.819900      -1.652600      0.8761000    
 H    2.004900      -2.897500       1.827700    
 H   -4.358000     -0.6096000       1.088200    
 H   -3.944000      0.6390000     -9.9200003E-02
 H   -3.845600      -1.069200     -0.5448000    
 H    2.349400     -0.5038000      -2.558200    
 H   0.9946000      -1.396500      -1.972800    


%chk=000048201-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048201

0 1
S -1.222080 -0.060299 -0.497146
O -1.675512 1.412898 -1.042586
O -1.157013 -1.309299 -1.596013
O 2.762722 0.815948 -0.382778
N 1.496608 -0.466385 -1.864722
C 0.655836 -0.075680 0.446375
C 0.633883 1.013291 1.529487
C 0.731004 -1.521353 0.997706
C -2.567456 -0.618216 0.808675
C 1.715396 0.154683 -0.663225
C 0.530257 2.482861 1.062998
C 2.148135 -1.898573 1.499305
C -3.935372 -0.443180 0.155288
H 1.583612 0.891973 2.088771
H -0.176887 0.775242 2.249050
H 0.017243 -1.623909 1.839147
H 0.426692 -2.233092 0.206358
H -2.301510 -1.663115 1.027723
H -2.404340 0.037918 1.678802
H -0.379275 2.661840 0.465875
H 1.407590 2.752228 0.453553
H 0.508441 3.147172 1.945677
H 2.488456 -1.233592 2.311899
H 2.892161 -1.844780 0.686699
H 2.135768 -2.933214 1.885750
H -4.721444 -0.716693 0.883517
H -4.094483 0.603963 -0.153569
H -4.039075 -1.092588 -0.730273
H 2.191505 -0.333289 -2.600643
H 0.597436 -0.951760 -2.062502


