%chk=000001403.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001403

0 1
 S   -1.428100      -1.536000       1.740000    
 O  -9.0899996E-02   2.255300      -1.686600    
 N    1.953200       1.094000      0.6402000    
 N  -0.3820000      0.1516000     -0.6598000    
 C    1.848000       1.277300     -0.7955000    
 C   0.3675000       1.254500      -1.127600    
 C    1.255900       2.166900       1.356300    
 C    3.357700       1.041900       1.058600    
 C    2.449400       2.596500      -1.229600    
 C   -1.786200      0.2926000     -0.3355000    
 C   0.1711000      -1.171700     -0.5017000    
 C   -2.376200     -0.4334000      0.7169000    
 C  -0.2292000      -2.034100      0.5316000    
 C    1.296100       1.949400       2.834100    
 C    4.097100     -4.3400001E-02  0.3456000    
 C   -2.616400       1.162500      -1.067200    
 C    1.095100      -1.663200      -1.443300    
 C   -3.734900     -0.2669000       1.031600    
 C   0.3334000      -3.314900      0.6503000    
 C   -3.970100       1.318900     -0.7547000    
 C    1.645900      -2.941400      -1.327400    
 C   -4.528600      0.6079000      0.2977000    
 C    1.272100      -3.764300     -0.2739000    
 H    2.338200      0.4961000      -1.371900    
 H    1.685000       3.157100       1.168200    
 H   0.1971000       2.220900       1.084100    
 H    3.882300       1.999500      0.9660000    
 H    3.409900      0.7702000       2.119100    
 H    1.939900       3.487000     -0.8477000    
 H    3.515400       2.685600      -1.001400    
 H    2.386100       2.678000      -2.323700    
 H    1.004900      0.9289000       3.107200    
 H    2.276400       2.164200       3.271500    
 H   0.5882000       2.625200       3.328200    
 H    3.560700     -0.9975000      0.3761000    
 H    4.325900      0.2022000     -0.6958000    
 H    5.063900     -0.2122000      0.8349000    
 H   -2.257800       1.706300      -1.934800    
 H    1.363700      -1.078800      -2.320200    
 H   -4.188800     -0.8160000       1.853800    
 H   4.0800001E-02  -3.979700       1.460400    
 H   -4.587000       1.991300      -1.344100    
 H    2.355800      -3.295000      -2.069400    
 H   -5.579200      0.7289000      0.5432000    
 H    1.697600      -4.758700     -0.1797000    


%chk=000001403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001403

0 1
S -1.212533 -1.207563 1.867123
O -0.339203 2.528796 -1.208350
N 2.100421 1.290211 0.732252
N -0.436209 0.258916 -0.677075
C 1.817205 1.448410 -0.726404
C 0.275513 1.461421 -0.921942
C 1.609352 2.414771 1.582049
C 3.507164 0.921878 1.043627
C 2.437690 2.697305 -1.401844
C -1.865558 0.299909 -0.431157
C 0.192430 -1.035451 -0.555857
C -2.373530 -0.354747 0.719832
C -0.067594 -1.838444 0.581786
C 1.258645 1.959920 3.012701
C 3.946746 -0.437657 0.470829
C -2.759144 0.964684 -1.303115
C 0.978314 -1.564843 -1.608250
C -3.754495 -0.338895 1.008144
C 0.525404 -3.111920 0.713856
C -4.138292 0.999722 -1.004054
C 1.586812 -2.830887 -1.474069
C -4.637948 0.352549 0.149532
C 1.374943 -3.598937 -0.304874
H 2.229048 0.549858 -1.214828
H 2.353381 3.247979 1.622438
H 0.700823 2.831946 1.112593
H 4.226517 1.715883 0.716636
H 3.582610 0.872997 2.144874
H 1.984935 3.624611 -1.015615
H 3.528268 2.722756 -1.224579
H 2.265026 2.677905 -2.493007
H 0.511229 1.148510 2.974239
H 2.142513 1.588690 3.563132
H 0.839547 2.805886 3.589345
H 3.235918 -1.228236 0.766905
H 4.015800 -0.433248 -0.632301
H 4.948405 -0.699633 0.859153
H -2.364995 1.471230 -2.185625
H 1.097789 -0.984770 -2.529733
H -4.131700 -0.863563 1.891972
H 0.310622 -3.722024 1.597346
H -4.821614 1.530769 -1.674953
H 2.207304 -3.223813 -2.286258
H -5.708995 0.375108 0.376814
H 1.840339 -4.584488 -0.199186


