%chk=000089205.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089205

0 1
 S   0.8081000      0.1014000       1.445200    
 S    3.129000      -2.180000       1.966600    
 N   -1.806500     -0.1115000     -0.3104000    
 N   -4.562100     -0.2560000      0.5523000    
 C  -0.7454000     -0.2506000      -1.305700    
 C   -2.791900      0.8904000     -0.7351000    
 C   -2.461400      -1.401900     -6.2500000E-02
 C   -3.907700       1.034700      0.3054000    
 C   -3.576400      -1.256600      0.9789000    
 C  -0.1236000       1.100300      -1.696000    
 C   0.3131000      -1.269800     -0.9376000    
 C   0.7297000       1.929400     -0.7538000    
 C    1.079900      -1.174900      0.2356000    
 C   -5.624700     -0.1175000       1.546300    
 C   0.5638000      -2.334200      -1.823000    
 C    1.178300       1.593800      0.5367000    
 C    2.060500      -2.140600      0.5096000    
 C    1.124000       3.181500      -1.286200    
 C    1.545000      -3.285800      -1.546100    
 C    1.977800       2.514500       1.248700    
 C    2.293600      -3.188700     -0.3794000    
 C    1.919600       4.076000     -0.5729000    
 C    2.346900       3.741100      0.7002000    
 C    4.530300      -1.195000       1.383200    
 H   -1.225000     -0.6119000      -2.229300    
 H   -3.224800      0.6383000      -1.712400    
 H   -2.349700       1.888600     -0.8048000    
 H   -1.756700      -2.141200      0.3339000    
 H   -2.880600      -1.815000     -0.9903000    
 H   -4.642600       1.755700     -7.3200002E-02
 H   -3.494300       1.447600       1.235900    
 H   -3.140800     -0.9885000       1.951100    
 H   -4.066200      -2.230800       1.098000    
 H  -0.8757000       1.752300      -2.157100    
 H   0.5555000      0.8720000      -2.535000    
 H   -6.139600      -1.073200       1.694000    
 H   -6.381000      0.5972000       1.203100    
 H   -5.244000      0.2225000       2.516200    
 H  -6.0000001E-03  -2.429700      -2.744500    
 H   0.8032000       3.468700      -2.286800    
 H    1.723500      -4.099900      -2.242200    
 H    2.330500       2.283600       2.253300    
 H    3.051700      -3.944700     -0.1878000    
 H    2.200800       5.027400      -1.013700    
 H    2.965400       4.428600       1.269000    
 H    4.993600      -1.668400      0.5133000    
 H    5.276000      -1.121600       2.179000    
 H    4.206700     -0.1862000       1.114200    


%chk=000089205-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089205

0 1
S 1.394371 -0.090947 1.266552
S 3.280032 -2.618125 1.808460
N -1.511601 -0.063516 -0.494137
N -4.193668 0.099741 0.621766
C -0.466209 -0.366138 -1.510644
C -2.499919 0.927967 -0.991727
C -2.219626 -1.271861 0.005387
C -3.495467 1.304362 0.117206
C -3.206093 -0.887103 1.118773
C 0.367390 0.906249 -1.890282
C 0.458323 -1.507887 -1.095003
C 0.614869 1.906734 -0.774092
C 1.335452 -1.447321 0.024591
C -5.220844 0.425301 1.628921
C 0.472644 -2.669818 -1.906935
C 1.031656 1.567808 0.538137
C 2.181361 -2.559600 0.318031
C 0.424710 3.286041 -1.065790
C 1.307403 -3.768611 -1.622813
C 1.234207 2.581776 1.512684
C 2.162212 -3.709456 -0.502387
C 0.632058 4.299489 -0.108947
C 1.036104 3.939668 1.196812
C 4.664908 -1.454296 1.251653
H -0.953530 -0.706142 -2.463437
H -3.067182 0.521688 -1.868650
H -1.972778 1.842499 -1.311449
H -1.479457 -1.983605 0.408387
H -2.782941 -1.782862 -0.816372
H -4.246932 2.007584 -0.289540
H -2.935223 1.828991 0.933115
H -2.623207 -0.485098 1.986638
H -3.746630 -1.791371 1.456611
H -0.142368 1.436278 -2.715578
H 1.329169 0.550864 -2.308640
H -5.750975 -0.496161 1.930736
H -5.962376 1.119580 1.193578
H -4.802229 0.901216 2.552452
H -0.201537 -2.706872 -2.770917
H 0.103620 3.558788 -2.079390
H 1.293725 -4.657974 -2.261037
H 1.553176 2.301211 2.523502
H 2.824548 -4.543901 -0.251934
H 0.478452 5.350619 -0.375072
H 1.198949 4.704741 1.963592
H 5.130332 -1.841298 0.332950
H 5.398228 -1.441794 2.073552
H 4.252693 -0.446039 1.094587


