%chk=000148513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148513

1 1
 S    2.145500     -0.8227000       1.399400    
 O    1.569300       2.044600      0.4995000    
 O   -2.866700      -1.232300      0.4332000    
 N   -3.084600       1.441700     -0.3371000    
 N   -4.042400       1.856800     -0.6550000    
 C   0.5873000     -0.1216000      0.8745000    
 C   0.4864000       1.215800      0.4911000    
 C    2.823900      -1.419900     -0.1734000    
 C    4.185100      -2.071200      4.5000002E-02
 C   -1.772000     -0.4215000      0.4487000    
 C  -0.5420000     -0.9403000      0.8534000    
 C  -0.7436000       1.734500      8.6499996E-02
 C   -1.872700      0.9159000      6.5300003E-02
 C    4.765000      -2.581000      -1.266300    
 C    1.942300       2.634000     -0.7438000    
 C   -2.808600      -2.383500     -0.4067000    
 C    3.436200       2.878700     -0.7451000    
 C   -4.208400      -2.727700     -0.8691000    
 H    2.915500     -0.5766000     -0.8660000    
 H    2.125700      -2.142100     -0.6100000    
 H    4.886600      -1.351300      0.4837000    
 H    4.098500      -2.913400      0.7422000    
 H  -0.4708000      -1.981700       1.159600    
 H  -0.8331000       2.778200     -0.2048000    
 H    4.899400      -1.762100      -1.980300    
 H    5.741200      -3.045000      -1.093900    
 H    4.108400      -3.329800      -1.720900    
 H    1.684500       1.977200      -1.584100    
 H    1.410900       3.584600     -0.8618000    
 H   -2.174500      -2.199500      -1.282900    
 H   -2.389500      -3.219500      0.1636000    
 H    3.755800       3.342500      -1.682400    
 H    3.721000       3.530900      8.7099999E-02
 H    3.981200       1.938200     -0.6127000    
 H   -4.202100      -3.615100      -1.508200    
 H   -4.863000      -2.914500     -1.1500000E-02
 H   -4.645600      -1.893000      -1.427100    


%chk=000148513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148513

1 1
S 1.732539 -1.914623 0.135988
O 1.814049 1.155177 -0.498082
O -3.357396 -1.027399 -0.145965
N -3.039718 1.557641 -0.698585
N -4.031331 2.159467 -0.842485
C 0.396224 -0.758518 -0.156725
C 0.524456 0.659523 -0.444091
C 3.442785 -1.176262 -0.333377
C 4.455169 -2.327096 -0.213340
C -2.066528 -0.580304 -0.221087
C -0.897998 -1.338060 -0.047665
C -0.622162 1.437377 -0.631145
C -1.913804 0.825684 -0.522567
C 5.873617 -1.821982 -0.571549
C 2.010481 2.614022 -0.755767
C -3.624972 -2.476367 0.166445
C 3.510071 2.879230 -0.728094
C -5.136290 -2.647452 0.191216
H 3.649654 -0.351844 0.362855
H 3.362269 -0.788469 -1.359621
H 4.455921 -2.729712 0.817324
H 4.174575 -3.155957 -0.890042
H -0.973598 -2.407490 0.166462
H -0.558080 2.505312 -0.848831
H 6.199625 -1.014106 0.108619
H 6.602344 -2.646285 -0.486788
H 5.917342 -1.440489 -1.607981
H 1.570479 2.856153 -1.743724
H 1.481140 3.181413 0.035653
H -3.148608 -3.085121 -0.625226
H -3.162783 -2.701406 1.146208
H 3.695174 3.951959 -0.914373
H 3.941232 2.624526 0.254435
H 4.032374 2.302414 -1.509497
H -5.378239 -3.701346 0.416712
H -5.597068 -2.016454 0.968897
H -5.582847 -2.394857 -0.784505


