%chk=000055300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055300

0 1
 S  -0.5223000      -1.277100       2.078300    
 N    6.983100      0.5013000      0.1939000    
 C   -1.868200      0.1396000     -0.8141000    
 C  -0.4103000     -0.3097000     -0.6671000    
 C   -2.886000     -0.8954000     -0.3404000    
 C   0.1931000     -0.8754000      0.4781000    
 C   -3.054600      -1.210300       1.018200    
 C   -2.178700       1.585400     -0.4027000    
 C    2.337500     -0.9934000     -0.7219000    
 C    3.781500      -1.363300     -0.7328000    
 C   -2.189900     -0.5811000       2.066500    
 C   0.4033000     -9.0499997E-02  -1.810300    
 C    1.566900      -1.212600      0.4188000    
 C    4.682200     -0.2107000     -0.2609000    
 C    1.754100     -0.4279000      -1.840400    
 C   -3.687300      -1.555500      -1.292600    
 C    6.154500     -0.6182000     -0.2375000    
 C   -4.015500      -2.164200       1.395500    
 C   -3.440700       2.117200     -0.6487000    
 C   -1.196300       2.354000      0.2137000    
 C   -4.639700      -2.497700     -0.9052000    
 C   -4.805300      -2.800800      0.4403000    
 C   -3.723200       3.430900     -0.2747000    
 C   -1.479000       3.667800      0.5879000    
 C   -2.742400       4.206100      0.3435000    
 C    8.398600      0.1277000      0.1867000    
 C    6.584400      0.9537000       1.528000    
 H   -2.026400      0.1847000      -1.904300    
 H    4.076900      -1.673300      -1.743700    
 H    3.941900      -2.244500     -9.7800002E-02
 H  -2.2399999E-02  0.3599000      -2.706000    
 H   -2.163600      0.5062000       1.990900    
 H   -2.616200     -0.7749000       3.058200    
 H    2.056700      -1.655100       1.287300    
 H    4.542800      0.6597000     -0.9154000    
 H    4.331000      7.6700002E-02  0.7364000    
 H    2.332600     -0.2397000      -2.740400    
 H   -3.578200      -1.335300      -2.352200    
 H    6.289500      -1.489800      0.4166000    
 H    6.447800     -0.9237000      -1.249800    
 H   -4.150000      -2.423300       2.443100    
 H   -4.214500       1.532200      -1.137300    
 H  -0.2007000       1.981500      0.4270000    
 H   -5.249700      -2.993200      -1.654600    
 H   -5.543600      -3.535600      0.7468000    
 H   -4.706200       3.850900     -0.4666000    
 H  -0.7159000       4.271900       1.070000    
 H   -2.962200       5.229200      0.6346000    
 H    8.708700     -0.1864000     -0.8162000    
 H    8.614600     -0.6879000      0.8864000    
 H    9.025600      0.9862000      0.4522000    
 H    5.636000       1.499100       1.508600    
 H    7.312100       1.676200       1.918100    
 H    6.518100      0.1308000       2.249000    


%chk=000055300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055300

0 1
S -0.605184 -0.759618 2.174962
N 7.094926 0.404097 0.199097
C -1.922882 0.246451 -0.887508
C -0.462096 -0.199996 -0.715533
C -2.909119 -0.852283 -0.460760
C 0.141084 -0.651279 0.493870
C -3.143364 -1.171300 0.909947
C -2.242707 1.649139 -0.323410
C 2.300268 -1.042975 -0.663773
C 3.764395 -1.450128 -0.602536
C -2.467603 -0.387000 2.001477
C 0.357592 -0.183504 -1.876714
C 1.496567 -1.074982 0.497044
C 4.685688 -0.275485 -0.168568
C 1.706976 -0.585110 -1.866673
C -3.569694 -1.608300 -1.458864
C 6.158837 -0.717338 -0.056553
C -4.021209 -2.233703 1.237211
C -3.585017 2.114402 -0.337047
C -1.226347 2.526841 0.127380
C -4.449170 -2.662312 -1.125520
C -4.676455 -2.978367 0.232309
C -3.903966 3.418244 0.098482
C -1.543996 3.833730 0.565075
C -2.882438 4.285718 0.553582
C 8.501725 -0.002891 0.002728
C 6.894354 1.044195 1.514946
H -2.062468 0.349273 -1.983205
H 4.095581 -1.817730 -1.593529
H 3.894476 -2.288106 0.111127
H -0.090661 0.161108 -2.817103
H -2.570276 0.699676 1.872260
H -2.847369 -0.667100 2.997944
H 1.932531 -1.441371 1.435658
H 4.614890 0.550320 -0.901524
H 4.319355 0.118610 0.798509
H 2.296804 -0.550777 -2.790018
H -3.387706 -1.369600 -2.514220
H 6.243270 -1.514183 0.732634
H 6.459885 -1.186361 -1.014534
H -4.190067 -2.478167 2.293008
H -4.381853 1.445281 -0.684032
H -0.185516 2.186944 0.140365
H -4.949424 -3.230748 -1.917286
H -5.354715 -3.794063 0.505802
H -4.945690 3.758811 0.081534
H -0.744608 4.496958 0.914948
H -3.127483 5.298530 0.892668
H 8.635758 -0.399000 -1.019954
H 8.844551 -0.788421 0.725199
H 9.162624 0.875095 0.118313
H 5.877180 1.463447 1.588732
H 7.609717 1.878242 1.628921
H 7.044552 0.339488 2.374133


