%chk=000178937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178937

0 1
 S   0.2436000       1.439300      3.8400002E-02
 O   -3.616200     -6.3199997E-02  2.5699999E-02
 N   0.7238000      -1.301000     -2.6000001E-02
 N   -2.492100      0.4196000      1.6899999E-02
 C    2.673100      0.1348000      0.4049000    
 C    2.155700      -1.173800     -0.1801000    
 C    2.030700       1.340400     -0.2706000    
 C  -0.1985000     -0.2679000     -1.0600000E-02
 C   -1.520100     -0.5283000      1.5000000E-03
 H    2.499500      0.1661000       1.488100    
 H    3.758700      0.1814000      0.2580000    
 H    2.408900      -1.236900      -1.244700    
 H    2.645400      -2.017200      0.3185000    
 H    2.488400       2.262400      0.1019000    
 H    2.197100       1.306300      -1.352800    
 H   0.3427000      -2.242600     -4.2199999E-02
 H   -1.840600      -1.570000     -1.1800000E-02


%chk=000178937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178937

0 1
S 0.203248 1.457798 -0.067006
O -3.752527 0.088164 0.116136
N 0.728362 -1.302035 -0.082434
N -2.490463 0.417426 0.035322
C 2.705457 0.145628 0.424398
C 2.193700 -1.167003 -0.192596
C 2.097331 1.355812 -0.292326
C -0.224313 -0.313594 -0.058587
C -1.587508 -0.637337 0.013695
H 2.467137 0.179905 1.503051
H 3.806844 0.171712 0.322090
H 2.502642 -1.215512 -1.258176
H 2.647397 -2.031771 0.324227
H 2.457648 2.307601 0.129825
H 2.312095 1.335365 -1.373729
H 0.360339 -2.256475 -0.082268
H -1.927290 -1.686284 0.053478


