%chk=000079271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079271

0 1
 S    6.391600     -0.4352000       1.060300    
 N    8.072900       1.346700      0.1571000    
 N    8.090400     -0.8897000     -0.8581000    
 C   -2.668500      0.2412000     -0.2357000    
 C   -3.979300     -0.1279000      0.4630000    
 C   -1.424300     -0.2223000      0.5287000    
 C   -5.224200      0.2825000     -0.3307000    
 C  -0.1125000      0.1669000     -0.1572000    
 C   -6.566900     -0.1392000      0.2761000    
 C    1.098000     -0.2912000      0.6609000    
 C   -7.813800      0.3284000     -0.4817000    
 C    2.409100      6.9799997E-02 -4.1200001E-02
 C   -9.121200     -0.1652000      0.1429000    
 C    3.656500     -0.3020000      0.7684000    
 C   -10.36540      0.3087000     -0.6127000    
 C    4.958900      3.6499999E-02  4.7200002E-02
 C   -11.66920     -0.1582000      1.6100001E-02
 C    7.709400      3.3199999E-02 -5.1500000E-02
 C    9.070800       2.123000     -0.5321000    
 C    7.487600      -2.206100     -0.8198000    
 H   -2.626900       1.329100     -0.3694000    
 H   -2.656000     -0.2021000      -1.239000    
 H   -4.005100      -1.212100      0.6273000    
 H   -4.011100      0.3435000       1.452700    
 H   -1.445600      0.2079000       1.537800    
 H   -1.461500      -1.312300      0.6481000    
 H   -5.219300       1.373400     -0.4494000    
 H   -5.155500     -0.1384000      -1.341800    
 H  -7.6899998E-02   1.254900     -0.2901000    
 H  -7.6099999E-02 -0.2832000      -1.156500    
 H   -6.619900      0.2397000       1.304600    
 H   -6.585900      -1.233900      0.3490000    
 H    1.070600      0.1791000       1.651200    
 H    1.053700      -1.375900      0.8157000    
 H   -7.819400       1.424600     -0.5191000    
 H   -7.754800     -2.3800001E-02  -1.518800    
 H    2.427000       1.147900     -0.2439000    
 H    2.447600     -0.4358000      -1.014100    
 H   -9.115500      -1.261600      0.1753000    
 H   -9.177000      0.1824000       1.181800    
 H    3.623400      -1.377500      0.9855000    
 H    3.618000      0.2219000       1.732100    
 H   -10.32130     -5.1899999E-02  -1.647300    
 H   -10.36780       1.404300     -0.6576000    
 H    4.997700     -0.4781000     -0.9173000    
 H    5.007200       1.113100     -0.1480000    
 H   -11.71870      -1.251300      4.4799998E-02
 H   -12.52310      0.2072000     -0.5626000    
 H   -11.76500      0.2170000       1.039900    
 H    7.572000       1.846200      0.8882000    
 H    10.05730       1.664100     -0.4188000    
 H    9.111900       3.136000     -0.1215000    
 H    8.832800       2.191500      -1.597600    
 H    6.441500      -2.213000      -1.139600    
 H    7.614600      -2.710700      0.1444000    
 H    8.016600      -2.835300      -1.545500    


%chk=000079271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079271

0 1
S 6.402543 -0.206585 1.276617
N 8.551860 1.270056 0.477767
N 8.181891 -0.535446 -0.981673
C -2.778989 0.118616 -0.314700
C -4.107161 -0.167200 0.421840
C -1.528917 -0.174937 0.544934
C -5.360651 0.135393 -0.429667
C -0.198156 0.109094 -0.187687
C -6.686406 -0.148574 0.311980
C 1.047491 -0.172552 0.682257
C -7.942653 0.159875 -0.533568
C 2.380456 0.106808 -0.049053
C -9.266764 -0.119282 0.212911
C 3.617766 -0.159929 0.842417
C -10.524541 0.192430 -0.629915
C 4.935000 0.109680 0.097492
C -11.841773 -0.083617 0.127228
C 7.845015 0.155065 0.060965
C 9.769578 1.710615 -0.210234
C 7.538124 -1.793122 -1.361878
H -2.760696 1.180912 -0.637287
H -2.737186 -0.488393 -1.243406
H -4.127950 -1.231083 0.738994
H -4.144428 0.434713 1.354136
H -1.572128 0.433493 1.472690
H -1.548563 -1.236573 0.869409
H -5.339719 1.199146 -0.747338
H -5.325849 -0.467221 -1.361548
H -0.181919 1.168513 -0.519518
H -0.149581 -0.506291 -1.110465
H -6.717948 0.450980 1.246002
H -6.708986 -1.213212 0.626508
H 0.998889 0.446618 1.602321
H 1.029193 -1.230368 1.018034
H -7.918748 1.223849 -0.850442
H -7.914155 -0.442001 -1.466203
H 2.394480 1.161255 -0.395372
H 2.437183 -0.523555 -0.960815
H -9.293260 -1.183577 0.528456
H -9.295090 0.481280 1.146421
H 3.601657 -1.210797 1.193859
H 3.564213 0.478998 1.746503
H -10.498084 -0.410798 -1.560546
H -10.495249 1.254777 -0.948112
H 5.045516 -0.559831 -0.772068
H 4.999465 1.156819 -0.243348
H -11.908497 -1.145430 0.431452
H -12.725221 0.145168 -0.497083
H -11.907231 0.531700 1.044531
H 8.150477 1.823343 1.232633
H 10.474055 0.866084 -0.310921
H 10.244424 2.516001 0.375425
H 9.550705 2.079718 -1.230603
H 6.938030 -1.652350 -2.283207
H 6.880427 -2.210200 -0.568542
H 8.317461 -2.541276 -1.598084


