%chk=000159893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159893

0 1
 S   -2.310600      -1.205000      -1.520900    
 O   -3.468700      -2.150200      -1.648700    
 N    2.286500       1.066300     -0.3727000    
 N    5.092800      0.4072000     -0.5923000    
 N  -0.9671000      0.3250000      0.8160000    
 C    3.304700       1.806700      0.3824000    
 C    2.852300      0.5502000      -1.625200    
 C    1.121900       1.908700     -0.6377000    
 C    4.526600      0.9241000      0.6597000    
 C    4.074900     -0.3318000      -1.349000    
 C   0.4279000       2.349400      0.6550000    
 C  -4.5899998E-02   1.201500       1.545700    
 C    6.256300     -0.4365000     -0.3263000    
 C   -2.192200      0.8713000      0.3713000    
 C  -0.6632000      -1.053500      0.7525000    
 C   -2.944100      0.2240000     -0.6267000    
 C   -1.274900      -1.877700     -0.2104000    
 C   -2.740400       2.040700      0.9397000    
 C   0.2083000      -1.671100       1.674700    
 C   -4.184500      0.7436000      -1.036900    
 C   -1.006500      -3.257400     -0.2443000    
 C   -3.976500       2.548200      0.5320000    
 C   0.4657000      -3.043700       1.639300    
 C   -4.699900       1.898100     -0.4566000    
 C  -0.1435000      -3.837900      0.6795000    
 H    2.932200       2.119700       1.362200    
 H    3.616300       2.711000     -0.1576000    
 H    3.134100       1.372800      -2.296600    
 H    2.102900     -5.6499999E-02  -2.148100    
 H    1.408300       2.801700      -1.209200    
 H   0.4023000       1.363600      -1.260600    
 H    5.277400       1.528300       1.183300    
 H    4.243200      0.1014000       1.330400    
 H    3.762400      -1.234800     -0.8068000    
 H    4.490500     -0.6560000      -2.310800    
 H    1.071400       3.013500       1.243000    
 H  -0.4059000       2.995300      0.3614000    
 H  -0.5083000       1.579100       2.465600    
 H   0.8666000      0.7054000       1.883100    
 H    6.702300     -0.7830000      -1.265100    
 H    6.002700      -1.314100      0.2795000    
 H    7.031600      0.1323000      0.1987000    
 H   -2.241400       2.577300       1.741700    
 H   0.6719000      -1.127800       2.492400    
 H   -4.757200      0.2595000      -1.824800    
 H   -1.458900      -3.893600      -1.001800    
 H   -4.372800       3.447200      0.9949000    
 H    1.132100      -3.489700       2.372000    
 H   -5.659500       2.290000     -0.7797000    
 H   5.4400001E-02  -4.904900      0.6462000    


%chk=000159893-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159893

0 1
S -2.393738 -1.001812 -1.804630
O -3.651730 -1.976205 -2.319435
N 2.558972 1.238667 -0.375604
N 5.357070 0.480580 -0.495353
N -0.962689 0.286496 0.618773
C 3.629337 2.164807 0.073369
C 3.071890 0.349447 -1.449928
C 1.303268 1.937029 -0.746191
C 4.851304 1.374939 0.570744
C 4.290337 -0.443005 -0.948860
C 0.474182 2.346158 0.492831
C 0.052425 1.110464 1.319966
C 6.589006 -0.227276 -0.100652
C -2.253500 0.845526 0.364822
C -0.817140 -1.135927 0.573247
C -3.108871 0.286478 -0.618866
C -1.510108 -1.904501 -0.397075
C -2.776648 1.932048 1.122852
C -0.047709 -1.859291 1.528472
C -4.433786 0.696602 -0.815997
C -1.516726 -3.305411 -0.416107
C -4.094719 2.387231 0.907496
C -0.004314 -3.269330 1.494777
C -4.940087 1.764907 -0.041106
C -0.748938 -4.004530 0.542401
H 3.247114 2.795718 0.896726
H 3.950065 2.841310 -0.758494
H 3.372148 0.931197 -2.356717
H 2.269580 -0.354358 -1.738809
H 1.500060 2.839825 -1.375870
H 0.695944 1.243890 -1.358634
H 5.655640 2.080127 0.853529
H 4.558193 0.798673 1.487114
H 3.959821 -1.126651 -0.124451
H 4.687120 -1.066515 -1.771930
H 1.066509 3.014475 1.147912
H -0.408614 2.925497 0.163875
H -0.298742 1.405931 2.330272
H 0.962149 0.499737 1.438072
H 6.960103 -0.829869 -0.949104
H 6.446839 -0.912473 0.774092
H 7.371478 0.506566 0.164618
H -2.167880 2.401712 1.900678
H 0.485850 -1.326747 2.320813
H -5.042519 0.177667 -1.565852
H -2.119505 -3.820888 -1.173151
H -4.471280 3.223977 1.506446
H 0.596683 -3.798906 2.242467
H -5.968030 2.112636 -0.183159
H -0.727317 -5.098722 0.543008


