%chk=000171275.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171275

0 1
 S    1.629900       1.715100      2.6300000E-02
 O    2.144800       2.165500       1.303200    
 O    2.142000       2.208200      -1.235900    
 N   -1.833000      0.2265000      5.7000001E-03
 N  -1.9500000E-02   1.727900      2.8400000E-02
 C   -2.630700      3.0400001E-02   1.208600    
 C   -2.634500      7.2800003E-02  -1.200700    
 C   -3.937600     -0.5617000      0.6903000    
 C   -4.071400      6.4300001E-02 -0.6887000    
 C  -0.5179000      0.5164000      8.9999996E-03
 C   0.4923000     -0.5634000     -9.9999998E-03
 C    1.764100     -1.5000000E-02 -3.0000000E-03
 C   0.3229000      -1.934700     -3.1700000E-02
 C    2.916600     -0.7673000     -1.6600000E-02
 C    1.473700      -2.731900     -4.6200000E-02
 C    2.758400      -2.153200     -3.8899999E-02
 H   -2.807000      0.9956000       1.695900    
 H   -2.144700     -0.6433000       1.921500    
 H   -2.391300     -0.8764000      -1.690600    
 H   -2.470100      0.8906000      -1.909600    
 H   -4.786300     -0.3413000       1.343600    
 H   -3.846800      -1.650800      0.5987000    
 H   -4.747500     -0.4900000      -1.345400    
 H   -4.444800       1.091500     -0.5979000    
 H  -0.6602000      -2.391400     -3.7000000E-02
 H    3.900400     -0.3146000     -1.0500000E-02
 H    1.376400      -3.814500     -6.3400000E-02
 H    3.634300      -2.796200     -5.0500002E-02


%chk=000171275-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171275

0 1
S 1.640017 1.530842 -1.132991
O 2.295797 2.707381 -0.227074
O 2.080533 1.419181 -2.690385
N -1.895998 0.086096 -0.117562
N -0.248139 1.477305 -0.965809
C -2.564727 -1.175154 0.304727
C -2.881538 1.131243 -0.525298
C -4.041503 -0.955269 -0.107868
C -4.225448 0.579741 -0.008296
C -0.563624 0.320608 -0.332323
C 0.541592 -0.608352 0.111292
C 1.821109 -0.143823 -0.250533
C 0.480669 -1.816667 0.849486
C 3.021983 -0.790601 0.040327
C 1.676523 -2.504946 1.162894
C 2.938324 -2.009378 0.759857
H -2.480922 -1.315055 1.401411
H -2.123452 -2.051869 -0.201083
H -2.862977 1.248927 -1.626310
H -2.590874 2.103708 -0.093003
H -4.735318 -1.518542 0.538060
H -4.193623 -1.288398 -1.150488
H -5.077850 0.945561 -0.603656
H -4.385570 0.881578 1.042833
H -0.468071 -2.225484 1.199059
H 3.985166 -0.373122 -0.267681
H 1.619243 -3.437617 1.733745
H 3.851178 -2.558795 1.011270


