%chk=000129608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129608

0 1
 S   -5.678800      -1.527600     -0.7241000    
 O   -2.942400      -1.298900       1.319300    
 O    7.057400      0.6013000      5.9300002E-02
 O    5.809600      0.1715000      -1.787900    
 N   -1.556100      -2.142600     -0.3384000    
 C    1.389200      -2.044200      0.1185000    
 C   -3.105000     -0.3464000     -0.9101000    
 C   0.3700000      -2.567500       1.135800    
 C    2.638500      -1.437400      0.7658000    
 C  -0.8857000      -3.122900      0.4700000    
 C   -3.487200       1.009600     -0.2764000    
 C    3.667300     -0.9359000     -0.2535000    
 C   -2.544400      -1.296900      0.1560000    
 C   -4.235600      -1.020900      -1.713500    
 C   -2.305300       1.888000      5.3800002E-02
 C    4.911200     -0.3487000      0.4162000    
 C   -1.710900       1.786700       1.301900    
 C   -1.834600       2.780100     -0.8970000    
 C    5.936800      0.1618000     -0.5715000    
 C  -0.6183000       2.598400       1.607200    
 C  -0.7419000       3.591700     -0.5916000    
 C  -0.1338000       3.500800      0.6604000    
 H   0.9265000      -1.278000     -0.5150000    
 H    1.689100      -2.865300     -0.5445000    
 H   -2.297700     -0.1516000      -1.631300    
 H   0.8309000      -3.353600       1.745400    
 H   9.2299998E-02  -1.753000       1.816400    
 H    3.108700      -2.189900       1.410900    
 H    2.338500     -0.6053000       1.414900    
 H  -0.6293000      -3.963500     -0.1836000    
 H   -1.576300      -3.491800       1.236000    
 H   -4.093900      0.8699000      0.6278000    
 H   -4.136600       1.560500     -0.9706000    
 H    3.203900     -0.1763000     -0.8954000    
 H    3.963100      -1.762100     -0.9120000    
 H   -1.292800      -2.078000      -1.317300    
 H   -4.585300     -0.3465000      -2.502200    
 H   -3.851700      -1.923100      -2.201900    
 H    4.621200      0.4886000       1.060900    
 H    5.389900      -1.118800       1.031700    
 H   -2.082400       1.097500       2.053600    
 H   -2.299500       2.856500      -1.875800    
 H   -6.056600     -0.2951000     -0.3553000    
 H  -0.1460000       2.529000       2.582700    
 H  -0.3640000       4.293900      -1.329000    
 H   0.7169000       4.132700      0.8981000    
 H    7.731200      0.9249000     -0.5761000    


%chk=000129608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129608

0 1
S -5.729215 -1.728484 -0.596625
O -2.816223 -1.237269 1.308855
O 7.110463 0.697092 0.225407
O 6.032924 0.032007 -1.719978
N -1.626423 -2.158028 -0.459168
C 1.439278 -2.081519 0.067736
C -3.185407 -0.304410 -0.956174
C 0.350443 -2.540466 1.061620
C 2.660204 -1.444192 0.768258
C -0.909666 -3.132979 0.386010
C -3.573511 1.040706 -0.276822
C 3.748984 -0.988207 -0.227399
C -2.534196 -1.260030 0.072128
C -4.377132 -0.974700 -1.691737
C -2.362019 1.911907 0.038017
C 4.948658 -0.333438 0.483167
C -1.684238 1.797189 1.280102
C -1.872682 2.839357 -0.919112
C 6.032768 0.122799 -0.473120
C -0.545931 2.588794 1.555243
C -0.733550 3.631076 -0.647291
C -0.065266 3.507787 0.593111
H 1.007271 -1.340403 -0.635947
H 1.776029 -2.945233 -0.544457
H -2.435204 -0.079707 -1.745759
H 0.768199 -3.308949 1.743862
H 0.035634 -1.689119 1.695124
H 3.092548 -2.171460 1.487446
H 2.316440 -0.576323 1.368992
H -0.639562 -4.002120 -0.243530
H -1.616310 -3.472883 1.163201
H -4.119384 0.807220 0.655563
H -4.260262 1.584478 -0.954606
H 3.317638 -0.272396 -0.953239
H 4.101525 -1.852429 -0.822813
H -1.380183 -2.087274 -1.447436
H -4.849860 -0.243962 -2.370874
H -4.036303 -1.836735 -2.290398
H 4.627458 0.546358 1.075185
H 5.409911 -1.028223 1.212408
H -2.052740 1.076595 2.018658
H -2.394285 2.950516 -1.878912
H -5.981784 -0.595092 0.156227
H -0.038713 2.493485 2.522428
H -0.373348 4.346727 -1.395466
H 0.813792 4.125847 0.809029
H 7.803331 0.987690 -0.428313


