%chk=000059789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059789

0 1
 I   -6.296300       1.116600       1.501800    
 S  -2.1800000E-02  -1.032400      -1.305700    
 O   0.5916000      -2.339600      -1.167900    
 O  -0.3466000     -0.5137000      -2.620600    
 N   0.9124000      0.1193000     -0.4746000    
 N    8.688400      0.3016000     -0.2804000    
 C    3.740900      6.3400000E-02  0.4912000    
 C    2.557600      0.6060000       1.299900    
 C    5.080500      0.7032000      0.8699000    
 C    1.245100     -8.9599997E-02  0.9514000    
 C    6.269300      0.1404000      8.6700000E-02
 C   -1.519500      -1.031300     -0.3668000    
 C   -2.408700      4.8700001E-02 -0.3738000    
 C    7.570300      0.8348000      0.4890000    
 C   -3.587700     -3.0400001E-02  0.4050000    
 C   -1.771800      -2.172800      0.3864000    
 C   -2.162200       1.205200      -1.131500    
 C   -3.834300      -1.187100       1.162200    
 C   -2.931300      -2.250600       1.152000    
 C   -4.485700       1.049400      0.4031000    
 C   -3.065400       2.268400      -1.121600    
 C   -4.224800       2.190700     -0.3558000    
 H    3.810000      -1.021500      0.6400000    
 H    3.567000      0.2257000     -0.5792000    
 H    2.463000       1.684000       1.120200    
 H    2.755000      0.4743000       2.370300    
 H    5.255700      0.5578000       1.943200    
 H    5.016400       1.785900      0.7038000    
 H    1.325300      -1.158700       1.173200    
 H   0.4398000      0.3304000       1.563200    
 H    6.347500     -0.9386000      0.2695000    
 H    6.092500      0.2743000     -0.9879000    
 H   0.8844000       1.097400     -0.7880000    
 H    7.494600       1.912200      0.3067000    
 H    7.762600      0.6896000       1.557700    
 H   -1.093400      -3.019800      0.4095000    
 H   -1.270000       1.365900      -1.722200    
 H   -4.718100      -1.310200       1.779400    
 H   -3.133200      -3.139200       1.743200    
 H   -2.859300       3.161300      -1.704800    
 H    9.554100      0.7364000      3.5999998E-02
 H    8.786300     -0.6962000     -9.7199999E-02
 H   -4.907200       3.037100     -0.3679000    


%chk=000059789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059789

0 1
I -6.533492 1.264356 1.527349
S -0.084904 -1.082927 -1.281614
O 0.509997 -2.572949 -1.031696
O -0.246092 -0.451340 -2.769950
N 1.068429 0.043420 -0.408389
N 8.907447 0.497605 -0.323046
C 3.959196 -0.067752 0.554703
C 2.736070 0.386875 1.378739
C 5.253189 0.682268 0.941909
C 1.422032 -0.327549 0.982663
C 6.475974 0.232958 0.111643
C -1.766618 -1.031076 -0.342554
C -2.638401 0.103057 -0.433637
C 7.777128 0.959030 0.508965
C -3.839545 0.060807 0.400653
C -2.013173 -2.150498 0.440292
C -2.395067 1.235497 -1.279285
C -4.082716 -1.095395 1.212644
C -3.203509 -2.178125 1.228135
C -4.720936 1.198066 0.347565
C -3.285344 2.308064 -1.286662
C -4.454142 2.300260 -0.465625
H 4.108876 -1.157974 0.697771
H 3.744515 0.077355 -0.520697
H 2.604851 1.484998 1.283216
H 2.909044 0.186625 2.456212
H 5.462118 0.530197 2.022449
H 5.099893 1.773795 0.804924
H 1.579241 -1.421745 0.994246
H 0.615857 -0.081480 1.708204
H 6.617836 -0.862484 0.233847
H 6.293647 0.408312 -0.965880
H 0.748314 1.015696 -0.553539
H 7.648740 2.045915 0.337685
H 7.937965 0.824812 1.608849
H -1.304778 -2.985762 0.434923
H -1.539897 1.221764 -1.962685
H -4.986752 -1.120490 1.828955
H -3.418357 -3.053863 1.848005
H -3.104447 3.167793 -1.939861
H 9.769915 1.039019 -0.210248
H 9.079172 -0.511395 -0.260501
H -5.138276 3.152561 -0.490075


