%chk=000055407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055407

0 1
 S   -1.086900      -1.676800      -1.955100    
 O    3.687400      -1.400800     -0.1202000    
 N    7.086000      1.9800000E-02 -0.1797000    
 C   -2.731500     -2.9500000E-02  0.2085000    
 C   -1.580600      0.6960000      0.1279000    
 C  -0.2234000      6.1200000E-02  7.1400002E-02
 C   -2.770600      -1.521400      0.2817000    
 C   -4.120500      0.5860000      0.2098000    
 C   0.1248000     -0.9357000     -0.8627000    
 C   -2.137100      -2.348900     -0.6676000    
 C   -1.687800       2.182500      8.6700000E-02
 C   0.7760000      0.5427000      0.9368000    
 C    1.441000      -1.418200     -0.9231000    
 C   -3.521300      -2.132200       1.303000    
 C    2.414300     -0.9243000     -5.7200000E-02
 C   -4.656600      0.7150000      -1.195100    
 C    2.081200      5.1500000E-02  0.8752000    
 C   -2.275000      -3.743100     -0.5943000    
 C   -1.804900       2.824600      -1.137500    
 C   -1.668500       2.901000       1.273300    
 C   -3.647000      -3.520600       1.373700    
 C    4.734900     -0.5065000      0.2525000    
 C   -3.029100      -4.324700      0.4226000    
 C    5.992400     -0.8795000     -0.5162000    
 C   -1.904900       4.215400      -1.175900    
 C   -1.768600       4.291700       1.234900    
 C   -1.886800       4.948900      1.0400000E-02
 C    7.416300     -7.5900003E-02   1.244300    
 C    6.746600       1.401700     -0.5280000    
 H   -4.839000      1.5799999E-02  0.8068000    
 H   -4.118300       1.574100      0.6825000    
 H   0.5592000       1.300000       1.685200    
 H    1.714500      -2.191200      -1.638700    
 H   -4.005000      -1.539500       2.076400    
 H   -5.641400       1.194000      -1.177200    
 H   -4.780400     -0.2672000      -1.664700    
 H   -4.014100       1.314000      -1.843900    
 H    2.797700      0.4419000       1.592000    
 H   -1.787500      -4.391300      -1.319000    
 H   -1.808200       2.267000      -2.070300    
 H   -1.586800       2.403200       2.235900    
 H   -4.227200      -3.972300       2.173100    
 H    4.438500      0.5181000      6.8000001E-03
 H    4.869500     -0.6066000       1.333800    
 H   -3.126900      -5.405000      0.4767000    
 H    6.267800      -1.921100     -0.3059000    
 H    5.793900     -0.8578000      -1.595700    
 H   -1.994400       4.727200      -2.129600    
 H   -1.756600       4.862800       2.158700    
 H   -1.964700       6.031700     -1.9600000E-02
 H    7.579500      -1.117600       1.543000    
 H    6.668400      0.3699000       1.908400    
 H    8.361200      0.4480000       1.431000    
 H    6.377800       1.473800      -1.557500    
 H    7.655300       2.014000     -0.4858000    
 H    6.020300       1.870200      0.1447000    


%chk=000055407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055407

0 1
S -1.263751 -1.595908 -2.063958
O 3.680793 -0.783674 -0.825859
N 7.324894 -0.351915 0.041975
C -2.888105 -0.025267 0.194566
C -1.792084 0.803858 0.036923
C -0.384023 0.337512 -0.157912
C -2.798848 -1.516129 0.319070
C -4.320995 0.513464 0.238701
C 0.003611 -0.692786 -1.067967
C -2.137000 -2.351947 -0.621832
C -1.931318 2.303623 0.094928
C 0.668561 0.996696 0.537829
C 1.352179 -1.040649 -1.264264
C -3.459231 -2.161532 1.404962
C 2.371086 -0.363215 -0.553774
C -5.181534 -0.038337 -0.930229
C 2.024950 0.661561 0.362069
C -2.136492 -3.758891 -0.494319
C -1.475927 3.106012 -0.986058
C -2.463619 2.955502 1.240369
C -3.463036 -3.564364 1.543362
C 4.781226 -0.142200 -0.085403
C -2.808894 -4.372616 0.584662
C 6.078337 -0.830137 -0.579608
C -1.577257 4.513419 -0.936333
C -2.554804 4.363969 1.298055
C -2.116706 5.149464 0.206798
C 7.498523 -0.688710 1.463874
C 7.723305 1.022242 -0.301946
H -4.809111 0.239490 1.196002
H -4.316391 1.613695 0.190262
H 0.408338 1.799111 1.236270
H 1.627791 -1.838644 -1.958672
H -3.965922 -1.547397 2.157565
H -6.201431 0.386245 -0.889392
H -5.265344 -1.138536 -0.887671
H -4.732611 0.230082 -1.903152
H 2.790462 1.198049 0.929816
H -1.605068 -4.361369 -1.237920
H -1.048232 2.617316 -1.868648
H -2.792241 2.349745 2.093198
H -3.973696 -4.025534 2.395978
H 4.795216 0.945666 -0.301608
H 4.634314 -0.291721 1.003850
H -2.813440 -5.463855 0.679503
H 5.982762 -1.916892 -0.396991
H 6.147470 -0.689421 -1.674635
H -1.233433 5.113472 -1.786540
H -2.962819 4.846704 2.193432
H -2.188929 6.242127 0.248373
H 7.252631 -1.753879 1.624422
H 6.872725 -0.081642 2.166018
H 8.555652 -0.537191 1.751386
H 7.635390 1.170857 -1.393344
H 8.781692 1.179693 -0.022547
H 7.123282 1.820788 0.203563


