%chk=000072735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072735

0 1
 S    3.774600       1.714100      0.1812000    
 O   0.6774000      -1.434500      0.3054000    
 N   -4.887000     -0.5605000      7.6300003E-02
 N   -1.270700      0.1219000      0.1504000    
 C   -3.478000     -0.8739000      8.2900003E-02
 C   -2.667200      0.4144000      0.1352000    
 C   -5.701900      -1.782800      5.9300002E-02
 C   -5.236900      0.2840000      -1.073900    
 C  -0.2776000       1.131700      0.1711000    
 C    1.102100      0.8608000      0.1647000    
 C    2.014600       1.918800      0.1656000    
 C    1.526300     -0.5591000      0.1581000    
 C    2.941500     -0.9562000     -3.1900000E-02
 C  -0.7454000       2.445000      0.1761000    
 C   -5.366800      -2.682500       1.236800    
 C   -6.702800      0.6818000      -1.037300    
 C    3.987500     -3.0200001E-02 -4.5100000E-02
 C    1.528300       3.237400      0.1724000    
 C   0.1583000       3.499300      0.1764000    
 C    3.220200      -2.323800     -0.2032000    
 C    5.302400     -0.4910000     -0.2306000    
 C    4.529400      -2.765900     -0.3879000    
 C    5.571800      -1.848600     -0.4020000    
 H   -3.187800      -1.468000     -0.7945000    
 H   -3.194400      -1.452100      0.9695000    
 H   -2.956500      0.9870000       1.025600    
 H   -2.841900       1.014600     -0.7603000    
 H   -6.763900      -1.539700      0.1663000    
 H   -5.579100      -2.341500     -0.8771000    
 H   -4.713300       1.242300      -1.046200    
 H   -5.001200     -0.2017000      -2.028900    
 H  -0.9738000     -0.8449000      0.1442000    
 H   -1.796500       2.713600      0.1818000    
 H   -4.413000      -3.203500       1.107400    
 H   -5.346700      -2.127300       2.180900    
 H   -6.133800      -3.459500       1.333100    
 H   -7.366600     -0.1394000      -1.324200    
 H   -6.999400       1.052200     -4.9899999E-02
 H   -6.882500       1.490100      -1.755500    
 H    2.213400       4.083400      0.1762000    
 H  -0.1982000       4.525100      0.1816000    
 H    2.426100      -3.066700     -0.2000000    
 H    6.139500      0.2048000     -0.2428000    
 H    4.732400      -3.824400     -0.5206000    
 H    6.593900      -2.186400     -0.5445000    


%chk=000072735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072735

0 1
S 3.852310 1.701711 0.355876
O 0.665035 -1.468761 -0.431117
N -4.910664 -0.721435 -0.201679
N -1.251227 0.169486 0.032815
C -3.445419 -0.937587 -0.162950
C -2.698089 0.383924 0.117896
C -5.691187 -1.865759 0.341620
C -5.387348 -0.269425 -1.538292
C -0.311153 1.141434 0.270425
C 1.119183 0.824204 0.165328
C 2.042287 1.889151 0.429657
C 1.539651 -0.536840 -0.197281
C 2.979804 -0.916793 -0.314321
C -0.713181 2.468640 0.621797
C -5.630774 -1.954911 1.878358
C -6.685295 0.557527 -1.466148
C 4.071112 -0.035268 -0.097669
C 1.624270 3.189645 0.774473
C 0.240919 3.464165 0.866429
C 3.272536 -2.266177 -0.669046
C 5.410525 -0.483620 -0.229764
C 4.593937 -2.718778 -0.802003
C 5.670482 -1.820477 -0.580526
H -3.060972 -1.385842 -1.112595
H -3.205453 -1.654240 0.643194
H -2.993210 0.747286 1.122946
H -3.022433 1.157501 -0.610531
H -6.744902 -1.725223 0.039738
H -5.360938 -2.836625 -0.108017
H -4.593958 0.359760 -1.983784
H -5.526691 -1.136197 -2.233094
H -0.845540 -0.757573 -0.220580
H -1.776877 2.705155 0.699925
H -4.598679 -2.108456 2.242868
H -6.014586 -1.022587 2.327707
H -6.241552 -2.802903 2.240737
H -7.525841 -0.027507 -1.051021
H -6.536060 1.440672 -0.820949
H -6.982555 0.899099 -2.475305
H 2.361439 3.974768 0.968315
H -0.088011 4.474432 1.134316
H 2.417131 -2.928697 -0.831465
H 6.238178 0.213366 -0.057995
H 4.794196 -3.759935 -1.075098
H 6.706398 -2.162114 -0.681090


