%chk=000154691.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154691

0 1
 S   -9.474400      -2.306600      0.2815000    
 N   -7.250600     -0.7713000     -0.3133000    
 C  -0.8352000       1.186900     -0.2152000    
 C   0.4180000      0.3765000      0.1203000    
 C   -2.106000      0.4510000      0.2152000    
 C    1.686300       1.097800     -0.3408000    
 C   -3.358900       1.249200     -0.1507000    
 C    2.938100      0.2702000     -3.3300001E-02
 C   -4.663400      0.5542000      0.2513000    
 C    4.236400      0.9669000     -0.4559000    
 C   -5.952700       1.278900     -0.1434000    
 C    5.479800      0.1620000     -0.1731000    
 C   -7.217700      0.5564000      0.3046000    
 C    6.136300      0.2994000       1.050000    
 C    5.973300     -0.7203000      -1.134200    
 C    7.286500     -0.4452000       1.311800    
 C    7.123300      -1.465100     -0.8722000    
 C    7.779800      -1.327300      0.3508000    
 C   -8.198900      -1.413500     -5.3599998E-02
 H  -0.7873000       2.162600      0.2836000    
 H  -0.8701000       1.376900      -1.294900    
 H   0.3593000     -0.6060000     -0.3636000    
 H   0.4653000      0.2021000       1.202100    
 H   -2.084100      0.2778000       1.297800    
 H   -2.145200     -0.5321000     -0.2694000    
 H    1.632600       1.289500      -1.419200    
 H    1.758400       2.071400      0.1587000    
 H   -3.317900       2.234200      0.3301000    
 H   -3.371100       1.425900      -1.233400    
 H    2.863700     -0.7003000     -0.5405000    
 H    2.975700      5.5599999E-02   1.042500    
 H   -4.663100     -0.4485000     -0.1939000    
 H   -4.659900      0.4083000       1.339200    
 H    4.196200       1.199900      -1.528100    
 H    4.314000       1.938100      5.0299998E-02
 H   -5.970700       1.402400      -1.233400    
 H   -5.946800       2.285800      0.2907000    
 H   -8.090900       1.148600      1.0000000E-03
 H   -7.225600      0.4772000       1.399900    
 H    5.760300      0.9820000       1.807500    
 H    5.469400     -0.8377000      -2.089900    
 H    7.797400     -0.3385000       2.264200    
 H    7.507400      -2.152600      -1.620200    
 H    8.675100      -1.907400      0.5548000    


%chk=000154691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154691

0 1
S -8.067144 -3.057251 -1.260863
N -7.586737 -0.531959 -0.047622
C -0.899589 1.182326 -0.226481
C 0.381557 0.392171 0.126126
C -2.192751 0.508174 0.286229
C 1.671711 1.051526 -0.412423
C -3.471648 1.303541 -0.060885
C 2.950291 0.258982 -0.058919
C -4.765658 0.611476 0.424014
C 4.242639 0.921588 -0.607106
C -6.038600 1.409470 0.073490
C 5.501494 0.138707 -0.259891
C -7.349964 0.739388 0.562175
C 6.236395 0.425450 0.919269
C 5.946324 -0.924165 -1.088360
C 7.382657 -0.327111 1.263294
C 7.091588 -1.679975 -0.750138
C 7.814705 -1.383648 0.428730
C -7.786257 -1.603276 -0.561475
H -0.826105 2.205855 0.196710
H -0.962846 1.303286 -1.327932
H 0.300249 -0.637303 -0.280095
H 0.456019 0.287645 1.228430
H -2.127941 0.379362 1.386648
H -2.268130 -0.511993 -0.143629
H 1.597491 1.154948 -1.515235
H 1.754964 2.081940 -0.007631
H -3.404061 2.318043 0.384982
H -3.524507 1.448826 -1.160011
H 2.872014 -0.771551 -0.460806
H 3.032728 0.156446 1.042127
H -4.827181 -0.399983 -0.024844
H -4.714549 0.464046 1.523275
H 4.149848 1.019329 -1.707352
H 4.313437 1.950557 -0.201822
H -6.100171 1.565222 -1.021081
H -5.994707 2.413681 0.540978
H -8.210429 1.404064 0.346366
H -7.307206 0.605913 1.662461
H 5.910510 1.246631 1.570191
H 5.393712 -1.157409 -2.007426
H 7.939820 -0.087998 2.176523
H 7.422590 -2.494109 -1.405247
H 8.705535 -1.965563 0.690958


