%chk=000091192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091192

0 1
 S   -4.622100      -1.452100     -8.2599998E-02
 O    3.877000      0.8660000      -1.052500    
 O   -5.081200      -1.715700       1.274000    
 O   -5.570000      -1.001700      -1.092200    
 O    5.229100      -2.935500       1.016000    
 N    1.221000       1.847400      0.3991000    
 N   -3.813400      -2.838100     -0.6697000    
 N    5.017700      0.1157000     -0.7942000    
 C  -8.1400000E-02   2.502600      0.1785000    
 C   -1.205000       1.523800      0.1138000    
 C  -0.2895000       3.570400       1.267900    
 C    1.503200      0.9145000     -0.6748000    
 C   -1.964600       1.409900      -1.050200    
 C   -1.496000      0.7226000       1.217900    
 C   -3.306800     -0.3067000     -6.3000000E-03
 C   -3.015700      0.4947000      -1.110400    
 C   -2.546900     -0.1927000       1.157900    
 C    2.834400      0.2351000     -0.4924000    
 C    3.200200     -0.8985000      0.1306000    
 C    4.588600     -0.9331000     -8.6400002E-02
 C    5.521400      -1.928500      0.3560000    
 H  -2.2900000E-02   3.053300     -0.7709000    
 H    1.950700       2.559500      0.4371000    
 H   -1.249100       4.081800       1.130500    
 H   0.5008000       4.328600       1.225300    
 H  -0.2834000       3.140000       2.275700    
 H    1.505700       1.427600      -1.645200    
 H   0.7572000      0.1135000     -0.7323000    
 H   -1.749600       2.025100      -1.919900    
 H  -0.9125000      0.7915000       2.132200    
 H   -3.589900      0.4180000      -2.029400    
 H   -2.751000     -0.8120000       2.026900    
 H    2.577200      -1.601800      0.6630000    
 H   -3.674400      -3.620500     -1.8700000E-02
 H   -4.007700      -3.130200      -1.635300    
 H    6.573700      -1.755400      7.0799999E-02


%chk=000091192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091192

0 1
S -4.886603 -1.430425 0.179601
O 4.047249 1.204090 0.043991
O -5.010677 -1.959196 1.715242
O -6.112506 -0.727781 -0.632218
O 5.732469 -3.086936 0.422880
N 1.212301 1.792915 0.282005
N -4.361956 -2.888304 -0.823658
N 5.256734 0.488438 0.410522
C -0.060190 2.454362 -0.082080
C -1.224269 1.456299 -0.051903
C -0.319742 3.613036 0.911544
C 1.735271 0.853640 -0.734256
C -2.284051 1.567839 -0.985185
C -1.282122 0.457840 0.953927
C -3.402784 -0.277763 0.080629
C -3.394321 0.696500 -0.928729
C -2.380239 -0.424449 1.031730
C 3.046519 0.267394 -0.307291
C 3.565556 -1.005268 -0.187665
C 4.926222 -0.823558 0.252263
C 5.950619 -1.854310 0.542407
H -0.015721 2.889480 -1.113132
H 1.927720 2.464212 0.589584
H -1.279742 4.109167 0.690714
H 0.483229 4.371302 0.846471
H -0.357565 3.227023 1.945253
H 1.864272 1.334570 -1.737154
H 1.014033 0.027906 -0.870078
H -2.245562 2.340163 -1.762879
H -0.449957 0.383136 1.662104
H -4.233468 0.779138 -1.626755
H -2.455259 -1.184689 1.815872
H 3.074820 -1.956472 -0.372042
H -4.378612 -3.716175 -0.204064
H -5.011822 -2.970458 -1.623870
H 6.934956 -1.453564 0.876018


