%chk=000072098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072098

0 1
 S   -3.870000       1.769300       1.909800    
 O   -1.717100     -0.5523000      -2.309800    
 O    5.385000       1.302300       2.422300    
 O    6.864100       2.365100      0.8442000    
 N    2.642200      -2.098600     -0.3944000    
 N  -0.2044000      -2.087700     -0.8997000    
 N   -3.160000     -5.8400001E-02 -0.5102000    
 C    1.977600     -0.9311000     -0.9865000    
 C    1.925600      -3.330400     -0.7470000    
 C   0.5115000     -0.8557000     -0.5463000    
 C   0.4599000      -3.254300     -0.3057000    
 C    4.039100      -2.171200     -0.8183000    
 C   -1.601700      -2.015300     -0.4778000    
 C    4.815000     -0.9489000     -0.4048000    
 C   -2.198100     -0.8249000      -1.205900    
 C    4.665000     -0.4522000      0.8851000    
 C    5.671000     -0.3395000      -1.329100    
 C   -4.041000     -0.6116000      0.4898000    
 C   -3.333100       1.350800     -0.7949000    
 C    5.396500      0.6695000       1.217500    
 C   -4.446100      0.1172000       1.619400    
 C   -3.673100       2.270700      0.2155000    
 C    6.400600      0.7953000     -0.9668000    
 C    6.241100       1.276500      0.3164000    
 C   -4.580500      -1.900100      0.3141000    
 C   -3.170300       1.853000      -2.099700    
 C   -5.305200     -0.4578000       2.569400    
 C   -3.814700       3.637600     -7.5099997E-02
 C    6.317600       2.375200       2.178700    
 C   -5.442300      -2.465600       1.256500    
 C   -3.319900       3.213500      -2.385000    
 C   -5.797100      -1.747400       2.390200    
 C   -3.637400       4.106900      -1.372100    
 H    2.027100     -0.9690000      -2.083700    
 H    2.444900      9.6000005E-03 -0.6769000    
 H    2.392000      -4.187000     -0.2455000    
 H    1.975400      -3.517700      -1.828300    
 H   0.4703000     -0.6879000      0.5396000    
 H   0.1011000      4.4900000E-02  -1.012400    
 H  -4.5499999E-02  -4.172600     -0.6288000    
 H   0.4058000      -3.220300      0.7910000    
 H    4.102400      -2.314200      -1.905500    
 H    4.527500      -3.038100     -0.3544000    
 H   -2.134900      -2.915500     -0.7993000    
 H   -1.681600      -1.905000      0.6088000    
 H    4.015800     -0.9194000       1.617200    
 H    5.780000     -0.7386000      -2.334100    
 H    7.066900       1.276500      -1.673700    
 H   -4.356900      -2.479000     -0.5787000    
 H   -2.976100       1.202700      -2.946200    
 H   -5.606500      9.5799997E-02   3.456200    
 H   -4.062900       4.351900      0.7073000    
 H    7.142100       2.293200       2.896300    
 H    5.804100       3.329900       2.340400    
 H   -5.839500      -3.463700       1.097600    
 H   -3.196800       3.569000      -3.404100    
 H   -6.465700      -2.183400       3.126300    
 H   -3.752500       5.164000      -1.591100    


%chk=000072098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072098

0 1
S -4.180340 2.008705 1.619545
O -1.737421 0.256148 -2.198772
O 6.061144 0.726126 2.754177
O 7.908029 1.499688 1.421654
N 2.771715 -1.860970 -0.545814
N -0.096699 -1.538048 -0.762239
N -3.491512 0.135014 -0.658352
C 2.178333 -0.620819 -1.109147
C 1.886659 -3.020744 -0.806600
C 0.785707 -0.369741 -0.514593
C 0.495062 -2.775762 -0.200972
C 4.160561 -2.093046 -1.005076
C -1.482684 -1.341719 -0.329724
C 5.159435 -1.098777 -0.418806
C -2.226193 -0.277332 -1.169373
C 5.020913 -0.684429 0.939261
C 6.244606 -0.630923 -1.198492
C -4.158574 -0.534866 0.434371
C -4.093407 1.366661 -1.128034
C 5.990297 0.179887 1.444875
C -4.534416 0.209232 1.582104
C -4.485134 2.333691 -0.168468
C 7.231353 0.246969 -0.666796
C 7.074787 0.634935 0.664600
C -4.510811 -1.903908 0.352147
C -4.295708 1.626558 -2.502747
C -5.179005 -0.421684 2.667769
C -5.071332 3.552142 -0.570227
C 7.273008 1.586743 2.764514
C -5.137195 -2.542417 1.443331
C -4.858961 2.855938 -2.908200
C -5.458181 -1.805323 2.607940
C -5.246693 3.817873 -1.946908
H 2.087270 -0.687749 -2.221492
H 2.840681 0.229398 -0.868149
H 2.334044 -3.922226 -0.346095
H 1.766929 -3.211232 -1.903165
H 0.889296 -0.169829 0.582460
H 0.340715 0.514945 -0.998272
H -0.163891 -3.631107 -0.445052
H 0.596457 -2.720701 0.913306
H 4.244055 -2.077026 -2.122048
H 4.439000 -3.118238 -0.684680
H -2.007171 -2.309936 -0.425432
H -1.576452 -1.048307 0.749329
H 4.169590 -1.031368 1.530394
H 6.329270 -0.949605 -2.243801
H 8.067278 0.607766 -1.271290
H -4.301467 -2.456363 -0.569982
H -3.983561 0.882077 -3.237772
H -5.469572 0.166853 3.544095
H -5.385211 4.281408 0.183555
H 7.979650 1.203687 3.521139
H 6.970502 2.632235 2.951064
H -5.391460 -3.605391 1.377392
H -4.996698 3.060120 -3.975093
H -5.949825 -2.296869 3.453893
H -5.690470 4.767656 -2.263447


