%chk=000116301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116301

0 1
 S   -4.778400       1.250700       1.150900    
 O   -1.766500      -1.633600      -1.877400    
 O    2.844000      -1.817100       1.024900    
 O    1.948300       2.297000      -1.258100    
 O    3.703900      0.6551000      0.1179000    
 N   -2.543900     -0.7036000      0.1247000    
 C   -2.303900      3.0500000E-02   1.374400    
 C   -3.940600      -1.061900     -0.1236000    
 C   -2.973700       1.399200       1.350700    
 C   -4.804300      0.1782000     -0.3213000    
 C   -1.572100      -1.019600     -0.8295000    
 C  -0.1930000     -0.5823000     -0.5832000    
 C   0.2317000      0.6621000      -1.041400    
 C   0.6835000      -1.413700      0.1093000    
 C    1.993800     -0.9976000      0.3453000    
 C    1.542100       1.078000     -0.8054000    
 C    2.423100      0.2482000     -0.1120000    
 C    3.614700      -2.735400      0.2522000    
 C    1.776700       3.405500     -0.3773000    
 C    4.114800      0.7604000       1.479000    
 H   -1.235000      0.1647000       1.554500    
 H   -2.684100     -0.5822000       2.201200    
 H   -4.293900      -1.664500      0.7221000    
 H   -4.014000      -1.692200      -1.016200    
 H   -2.775400       1.929800       2.287000    
 H   -2.583300       2.010300      0.5300000    
 H   -4.455700      0.7620000      -1.180000    
 H   -5.841000     -0.1142000     -0.5144000    
 H  -0.4534000       1.311000      -1.581700    
 H   0.3510000      -2.384700      0.4685000    
 H    4.251800      -3.305700      0.9335000    
 H    4.252900      -2.201200     -0.4588000    
 H    2.959400      -3.431900     -0.2803000    
 H    2.347600       3.258700      0.5448000    
 H   0.7169000       3.549000     -0.1438000    
 H    2.148700       4.302800     -0.8794000    
 H    4.644900     -0.1467000       1.782000    
 H    3.272600      0.9534000       2.152800    
 H    4.811300       1.600500       1.555900    


%chk=000116301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116301

0 1
S -5.345910 0.027342 1.658144
O -2.128244 0.028538 -2.164635
O 2.414693 -1.614412 1.313914
O 2.109315 2.755179 -1.007203
O 3.668427 0.873490 0.532136
N -2.701200 -0.763920 -0.048625
C -2.585499 -0.678577 1.425867
C -4.031404 -1.173188 -0.561148
C -3.525568 0.391449 2.020693
C -5.135235 -0.157636 -0.217871
C -1.792552 -0.212676 -0.958638
C -0.378195 0.049752 -0.501247
C 0.250018 1.233914 -0.950212
C 0.369656 -0.904905 0.232556
C 1.720155 -0.652277 0.544563
C 1.594857 1.507716 -0.618186
C 2.335786 0.575159 0.164708
C 3.603513 -2.207021 0.654712
C 3.384265 2.753738 -1.760506
C 3.853941 1.096070 1.988914
H -1.547128 -0.429444 1.694871
H -2.830850 -1.665991 1.863704
H -4.284315 -2.158569 -0.125130
H -3.943202 -1.265531 -1.657111
H -3.442504 0.407525 3.120496
H -3.279825 1.392035 1.624360
H -4.909645 0.831027 -0.650770
H -6.114680 -0.502117 -0.589078
H -0.299446 1.949373 -1.567822
H -0.061160 -1.864665 0.534109
H 4.032310 -2.897996 1.396230
H 4.334860 -1.425459 0.382854
H 3.294673 -2.766870 -0.248049
H 3.250847 2.228838 -2.725781
H 4.187945 2.278780 -1.174292
H 3.607805 3.815969 -1.941148
H 3.548843 0.199787 2.557847
H 3.266934 1.974671 2.313418
H 4.929219 1.289902 2.121156


