%chk=000226986.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226986

0 1
 S   0.8834000      -2.071300     -0.1262000    
 O   0.5470000      -2.344500      -1.510200    
 O    1.458100      -3.110500      0.7068000    
 N   -1.678000      -1.336100     -0.1412000    
 N  -0.4683000      -1.395600      0.6550000    
 N    4.635800       2.540700     -3.7999999E-02
 C   -3.742700     -0.1136000     -0.5511000    
 C   -3.862100       1.343400      -1.011400    
 C   -3.529500       2.353600      8.8200003E-02
 C   -2.141500       2.098200      0.6735000    
 C   -2.007600      0.6808000       1.214200    
 C   -2.413000     -0.3130000      0.1506000    
 C   -4.885800     -0.5389000      0.3659000    
 C    1.998500     -0.7004000     -0.1000000    
 C    2.855800     -0.5468000      0.9761000    
 C    1.994400      0.1949000      -1.155900    
 C    3.735700      0.5352000      0.9971000    
 C    2.874600       1.276900      -1.134900    
 C    3.745200       1.447000     -5.8400001E-02
 H   -3.764800     -0.7585000      -1.438800    
 H   -4.869800       1.537500      -1.397300    
 H   -3.169800       1.505500      -1.848300    
 H   -4.282700       2.308800      0.8831000    
 H   -3.567900       3.367400     -0.3268000    
 H   -1.944400       2.818900       1.475200    
 H   -1.385500       2.266200     -0.1039000    
 H   -2.676100      0.5423000       2.071700    
 H  -0.9890000      0.5683000       1.587900    
 H   -4.771400      -1.587600      0.6617000    
 H   -4.923500      5.3700000E-02   1.285200    
 H   -5.849500     -0.4353000     -0.1434000    
 H  -0.6306000      -1.686700       1.628500    
 H    2.858200      -1.241200       1.810600    
 H    1.318600      8.3600000E-02  -1.998200    
 H    4.408200      0.6580000       1.842300    
 H    2.871200       1.981600      -1.962400    
 H    4.641800       3.202900     -0.8022000    
 H    5.266100       2.665600      0.7430000    


%chk=000226986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226986

0 1
S 1.071329 -1.869954 0.960929
O 0.606690 -2.912322 -0.201122
O 1.583424 -2.380395 2.422894
N -1.141810 -0.332870 0.362748
N -0.386443 -0.666425 1.476053
N 5.128544 1.929226 -1.413462
C -3.078366 0.514867 -0.821040
C -3.632807 1.969120 -0.737928
C -4.456009 2.219368 0.548167
C -3.625459 1.891780 1.810156
C -3.092378 0.428618 1.780160
C -2.360223 0.154359 0.473872
C -4.194726 -0.518948 -1.143363
C 2.301726 -0.690921 0.233398
C 3.188166 -0.024998 1.099785
C 2.323940 -0.515878 -1.162272
C 4.136875 0.849889 0.545253
C 3.273386 0.362169 -1.711671
C 4.190779 1.060583 -0.867632
H -2.326030 0.459829 -1.629525
H -4.248457 2.175626 -1.635211
H -2.779939 2.677420 -0.759465
H -5.375802 1.600833 0.539448
H -4.787476 3.275027 0.581354
H -4.231058 2.041502 2.724234
H -2.763348 2.585182 1.872478
H -3.953100 -0.265145 1.872629
H -2.436042 0.258629 2.653757
H -3.771374 -1.536213 -1.217418
H -4.987493 -0.533375 -0.373724
H -4.670622 -0.273197 -2.110866
H -0.856173 -1.195200 2.246639
H 3.144094 -0.207112 2.178337
H 1.623288 -1.068736 -1.795453
H 4.842191 1.373585 1.200776
H 3.310310 0.513041 -2.796704
H 5.179604 2.078841 -2.417057
H 5.789890 2.423196 -0.821154


