%chk=000154690.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154690

0 1
 S    8.293000      -2.054100      0.2915000    
 N    6.026100     -0.5990000     -0.3430000    
 C   0.7939000      0.3935000      9.0800002E-02
 C  -0.4779000       1.151100     -0.3002000    
 C    2.040700       1.246600     -0.1578000    
 C   -1.759900      0.3325000     -0.1055000    
 C    3.347400      0.5452000      0.2263000    
 C   -3.066800       1.078800     -0.3999000    
 C    4.597500       1.373400     -8.8299997E-02
 C   -4.308100      0.2602000     -0.1480000    
 C    5.881400      0.6792000      0.3557000    
 C   -4.837800     -0.5068000      -1.174600    
 C   -4.898900      0.2874000       1.106300    
 C   -5.985800      -1.264200     -0.9417000    
 C   -6.046700     -0.4701000       1.339200    
 C   -6.590100      -1.245900      0.3152000    
 C    6.991900      -1.207900     -6.5899998E-02
 H   0.7445000      0.1124000       1.149400    
 H   0.8622000     -0.5346000     -0.4890000    
 H  -0.5476000       2.068800      0.2968000    
 H  -0.4124000       1.460600      -1.350500    
 H    2.082000       1.520600      -1.219400    
 H    1.959500       2.183200      0.4076000    
 H   -1.706400     -0.5628000     -0.7385000    
 H   -1.786400     -3.0999999E-02  0.9304000    
 H    3.325400      0.3139000       1.298400    
 H    3.397300     -0.4137000     -0.3036000    
 H   -3.063200       1.423000      -1.442500    
 H   -3.109500       1.993200      0.2063000    
 H    4.639400       1.567400      -1.167100    
 H    4.527000       2.346300      0.4124000    
 H    5.854600      0.5273000       1.443200    
 H    6.730800       1.338200      0.1309000    
 H   -4.373000     -0.5293000      -2.156200    
 H   -4.482000      0.8867000       1.910700    
 H   -6.408600      -1.868800      -1.738800    
 H   -6.517100     -0.4564000       2.318100    
 H   -7.483600      -1.835900      0.4967000    


%chk=000154690-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154690

0 1
S 6.801897 -2.852748 -1.394868
N 6.261106 -0.401893 -0.061607
C 0.842293 0.516958 0.219843
C -0.446432 1.178945 -0.318193
C 2.114285 1.347417 -0.065599
C -1.719532 0.354323 -0.025827
C 3.409636 0.661157 0.424522
C -3.009195 1.016319 -0.579845
C 4.673076 1.499587 0.137296
C -4.264734 0.211045 -0.272217
C 5.988361 0.828257 0.613777
C -4.744272 -0.765676 -1.182523
C -4.960386 0.391470 0.951181
C -5.886694 -1.542111 -0.880937
C -6.103239 -0.381476 1.258423
C -6.570713 -1.352199 0.342087
C 6.491260 -1.438277 -0.630519
H 0.744477 0.357560 1.313681
H 0.952956 -0.489871 -0.233218
H -0.554220 2.190920 0.126192
H -0.350234 1.329547 -1.414029
H 2.190756 1.534070 -1.157123
H 2.017404 2.343361 0.415461
H -1.614984 -0.659553 -0.463089
H -1.826356 0.208661 1.068460
H 3.335533 0.468228 1.515231
H 3.503700 -0.329134 -0.064070
H -2.901182 1.142946 -1.675537
H -3.097541 2.034187 -0.149780
H 4.749449 1.711177 -0.946937
H 4.602590 2.477660 0.654331
H 5.927828 0.632269 1.703963
H 6.839573 1.519944 0.452664
H -4.221415 -0.915580 -2.135622
H -4.607042 1.145756 1.665756
H -6.245265 -2.289069 -1.598623
H -6.630822 -0.225479 2.206565
H -7.459123 -1.949697 0.576129


