%chk=000159492.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159492

0 1
 S    3.570800      2.2000000E-03  -2.534600    
 O   -3.931000      7.7000000E-03  0.5590000    
 O    5.786000     -4.1800000E-02   1.934100    
 N    2.507700      1.4000000E-03 -0.1650000    
 N    2.363800      2.7300000E-02   1.190300    
 N    4.913500     -1.8999999E-02 -0.2003000    
 C   -2.658000       2.521300      0.1810000    
 C   -2.654300      -2.501100      0.1625000    
 C   -1.938700       1.180700     -4.2300001E-02
 C   -1.957700      -1.196600     -4.4599999E-02
 C   -2.625900      1.0100000E-02  0.1625000    
 C  -0.6248000       1.221800     -0.4412000    
 C  -0.6230000      -1.194000     -0.4499000    
 C   4.3499999E-02  1.5200000E-02 -0.6483000    
 C   -3.139900       2.615100       1.645000    
 C   -3.896900       2.723800     -0.7208000    
 C   -1.687400       3.686300     -0.1097000    
 C   -1.653900      -3.608800      0.6148000    
 C   -3.337800      -2.990400      -1.151100    
 C   -3.784600      -2.492300       1.243300    
 C    1.446700      1.7800000E-02  -1.074500    
 C    1.826900      2.2800000E-02  -2.367000    
 C    3.755200     -8.5000005E-03 -0.7696000    
 C    3.476400      1.7000001E-02   1.851500    
 C    4.823400     -1.7899999E-02   1.175000    
 H  -4.7899999E-02   2.120800     -0.6137000    
 H  -7.4800000E-02  -2.109200     -0.6469000    
 H   -2.321200       2.403300       2.343400    
 H   -3.500800       3.626900       1.867300    
 H   -3.963500       1.938000       1.886100    
 H   -4.312500       3.731300     -0.6000000    
 H   -3.631200       2.598600      -1.777100    
 H   -4.707700       2.022800     -0.5053000    
 H   -2.194400       4.645800      5.9900001E-02
 H  -0.8219000       3.695300      0.5640000    
 H   -1.353600       3.710900      -1.154200    
 H   -2.182900      -4.527900      0.8958000    
 H  -0.9642000      -3.906900     -0.1822000    
 H   -1.070000      -3.290300       1.486500    
 H   -2.601500      -3.110400      -1.954500    
 H   -3.834900      -3.956200      -1.005600    
 H   -4.088000      -2.272500      -1.501600    
 H   -4.031200      -3.516700       1.551900    
 H   -3.472900      -1.961100       2.150000    
 H   -4.735300      -2.087400      0.8841000    
 H   -4.444900     -0.3433000     -0.1898000    
 H    1.168500      3.0900000E-02  -3.224700    
 H    3.490100      3.4400001E-02   2.952400    


%chk=000159492-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159492

0 1
S 3.871309 1.381966 -1.770043
O -4.039225 0.079940 0.309898
O 5.841543 -2.108383 1.476259
N 2.599274 -0.217394 -0.090326
N 2.369446 -1.154494 0.917491
N 5.008226 -0.488722 -0.038086
C -2.998025 2.699481 -0.250573
C -2.437854 -2.450996 0.459799
C -2.111911 1.427396 -0.202199
C -1.839898 -1.049843 0.142675
C -2.649330 0.131333 0.082255
C -0.721600 1.501449 -0.427126
C -0.456952 -0.899983 -0.097176
C 0.118849 0.359283 -0.387200
C -3.681520 2.930669 1.132547
C -4.081457 2.550953 -1.363206
C -2.168065 3.971503 -0.576097
C -1.346791 -3.557593 0.461264
C -3.477447 -2.871489 -0.630876
C -3.073848 -2.471841 1.889099
C 1.548972 0.522938 -0.715485
C 2.066398 1.402411 -1.638667
C 3.917452 0.074495 -0.501972
C 3.457869 -1.736494 1.407519
C 4.864789 -1.485528 0.977284
H -0.265254 2.476318 -0.614157
H 0.190906 -1.773906 -0.056388
H -2.922869 3.068198 1.925389
H -4.302955 3.845159 1.090665
H -4.327462 2.082912 1.407205
H -4.708141 3.462202 -1.395361
H -3.608511 2.425445 -2.355140
H -4.734069 1.685416 -1.172732
H -2.848122 4.841879 -0.605479
H -1.399862 4.176736 0.192726
H -1.673113 3.904647 -1.563307
H -1.818500 -4.529560 0.694401
H -0.855811 -3.654079 -0.523957
H -0.569161 -3.371734 1.223943
H -2.985327 -2.927736 -1.618310
H -3.887887 -3.869988 -0.392481
H -4.334895 -2.182510 -0.746358
H -3.465331 -3.481972 2.109220
H -2.308942 -2.224405 2.646653
H -3.907467 -1.759958 2.040169
H -4.323434 -0.839313 0.529648
H 1.498261 2.052917 -2.297351
H 3.281040 -2.470527 2.199841


