%chk=000149723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149723

0 1
 S    5.812900       1.032200      0.9615000    
 O   -4.175400       4.249100      0.1149000    
 O    7.169800      0.7939000       1.417600    
 O    5.560400       1.501500     -0.3865000    
 N  -0.2941000     -0.7261000     -0.9056000    
 N    2.002700     -0.9886000      -2.567200    
 N   -4.097600     -0.4569000      0.8346000    
 N    4.867100     -0.3627000       1.315200    
 C   -1.584000     -0.6350000     -0.3156000    
 C   -2.215600      0.6091000     -0.2192000    
 C   -2.210400      -1.789900      0.1637000    
 C   0.9969000     -0.6382000     -0.3685000    
 C    2.133200     -0.7645000      -1.178200    
 C   -3.489800      0.6524000      0.3715000    
 C   -3.484800      -1.652600      0.7393000    
 C    3.409600     -0.6728000     -0.6232000    
 C    3.560700     -0.4540000      0.7461000    
 C    1.158900     -0.4184000       1.005400    
 C   -1.609300       1.785800     -0.6924000    
 C   -1.598900      -3.052900      7.9899997E-02
 C    2.435200     -0.3268000       1.560400    
 C   -4.123800       1.888100      0.4704000    
 C   -4.113700      -2.798700       1.218300    
 C   -3.524300       3.059500      1.1000000E-03
 C   -2.264400       3.008700     -0.5815000    
 C   -2.248700      -4.183200      0.5664000    
 C   -3.508800      -4.055500       1.136800    
 C    1.937300      -2.338400      -3.087300    
 C    1.918900      0.1296000      -3.483600    
 C    5.086500       2.199100       2.090600    
 C   -3.506500       5.406100     -0.3849000    
 H  -0.3312000     -0.8768000      -1.909200    
 H    4.285000     -0.7858000      -1.259000    
 H   0.3023000     -0.3145000       1.666500    
 H  -0.6269000       1.779900      -1.157600    
 H  -0.6164000      -3.189100     -0.3647000    
 H    2.541200     -0.1551000       2.628500    
 H   -5.112000       1.947500      0.9242000    
 H   -5.101500      -2.724800       1.669600    
 H   -1.738600       3.874500     -0.9683000    
 H    4.921600     -0.6916000       2.288600    
 H   -1.774900      -5.157800      0.4994000    
 H   -4.024900      -4.931200       1.519100    
 H   0.9719000      -2.795700      -2.847000    
 H    2.730300      -2.960600      -2.658000    
 H    2.059800      -2.362300      -4.175300    
 H    1.604500     -0.1855000      -4.484200    
 H    2.894200      0.6189000      -3.575000    
 H    1.192500      0.8710000      -3.133200    
 H    5.158600       1.804600       3.105900    
 H    5.649800       3.132100       2.016900    
 H    4.047300       2.375900       1.808900    
 H   -4.167600       6.261700     -0.2124000    
 H   -3.343400       5.340900      -1.466100    
 H   -2.578900       5.603000      0.1634000    


%chk=000149723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149723

0 1
S 5.882734 0.783609 0.909916
O -4.820340 4.143765 -0.487478
O 7.496892 0.787937 0.618412
O 4.861323 1.424039 -0.228385
N -0.219404 -0.472226 -0.771737
N 1.843732 -0.362216 -2.496622
N -4.195412 -0.388474 0.872878
N 4.979322 -1.408788 1.113103
C -1.504281 -0.469067 -0.183209
C -2.284155 0.729054 -0.269296
C -2.076782 -1.637302 0.416902
C 1.007827 -0.854868 -0.239556
C 2.129305 -0.775711 -1.145101
C -3.647203 0.710666 0.257636
C -3.432144 -1.522330 0.955737
C 3.420553 -0.994905 -0.659202
C 3.659195 -1.270549 0.732723
C 1.223665 -1.182401 1.136127
C -1.787718 1.956665 -0.822570
C -1.426864 -2.919975 0.461121
C 2.522089 -1.351946 1.617164
C -4.453590 1.886639 0.152421
C -4.027929 -2.674295 1.583767
C -3.946506 3.051350 -0.428016
C -2.590320 3.091828 -0.909489
C -2.045900 -4.016114 1.056718
C -3.353104 -3.888629 1.640315
C 1.302166 -1.431588 -3.382292
C 2.903389 0.441567 -3.156482
C 5.641639 1.960730 2.434912
C -4.335020 5.391257 -1.086434
H -0.080192 0.035094 -1.664467
H 4.289380 -0.940196 -1.318048
H 0.370353 -1.237263 1.817691
H -0.747067 2.022959 -1.158918
H -0.435176 -3.038818 0.014864
H 2.686755 -1.551113 2.683775
H -5.474004 1.856764 0.541205
H -5.034544 -2.547106 1.993302
H -2.175307 4.012947 -1.328838
H 5.073427 -1.580400 2.140376
H -1.537066 -4.985894 1.075908
H -3.820448 -4.758278 2.115010
H 0.486013 -1.973740 -2.875434
H 2.086409 -2.167494 -3.666738
H 0.900182 -0.976160 -4.304784
H 2.456637 0.997125 -4.000446
H 3.730637 -0.185341 -3.558086
H 3.334388 1.155287 -2.435561
H 6.282207 1.573511 3.239398
H 5.967334 2.950501 2.085333
H 4.571584 1.942028 2.683992
H -5.190779 6.079853 -1.035839
H -4.038713 5.244443 -2.142940
H -3.486469 5.812671 -0.513734


