%chk=000112189.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112189

0 1
 S   -3.069500      -1.584500      0.1272000    
 O    6.807100      -1.325500       2.210000    
 O   -5.837400      -2.706200     -4.1600000E-02
 O   -3.429200       3.301500      0.2075000    
 O   -1.248500       2.602300      0.3162000    
 N    5.356300     -0.4683000     -9.0099998E-02
 N  -0.2268000     -0.2124000     -0.8244000    
 N  -0.8114000     -0.2073000      0.2838000    
 C    6.158600      0.7602000     -0.1600000    
 C    5.395000       1.931800      0.4595000    
 C    4.040100       2.130000     -0.2050000    
 C    3.973000     -0.4152000     -0.2659000    
 C    3.291800      0.8249000     -0.3178000    
 C    6.061000      -1.742900     -3.4600001E-02
 C    6.592000       1.026400      -1.603300    
 C    3.186400      -1.578700     -0.3858000    
 C    1.900200      0.8763000     -0.5144000    
 C    1.801100      -1.520500     -0.5679000    
 C    1.158000     -0.2926000     -0.6358000    
 C    6.100700      -2.252900       1.395900    
 C    1.033900      -2.796900     -0.6916000    
 C   -2.169500     -0.1334000      0.2080000    
 C   -7.139800     -0.7035000     -8.5600004E-02
 C   -4.547000     -0.7216000      6.1099999E-02
 C   -2.971000      0.9821000      0.1853000    
 C   -5.772300      -1.448000     -2.3300000E-02
 C   -4.351800      0.6415000      0.1000000    
 C   -7.678600     -0.4938000       1.326500    
 C   -8.161600      -1.460800     -0.9370000    
 C   -2.455500       2.326200      0.2422000    
 C   -2.985500       4.662000      0.2610000    
 H    7.073300      0.6292000      0.4316000    
 H    5.243000       1.729400       1.528700    
 H    5.981600       2.855500      0.3934000    
 H    3.459600       2.846900      0.3882000    
 H    4.163100       2.554800      -1.208100    
 H    5.652100      -2.489300     -0.7228000    
 H    7.096000      -1.594300     -0.3700000    
 H    7.163200       1.958100      -1.670400    
 H    7.230300      0.2172000      -1.974300    
 H    5.738600       1.099600      -2.285300    
 H    3.637300      -2.565400     -0.3274000    
 H    1.401600       1.841700     -0.5709000    
 H    5.097800      -2.375100       1.815500    
 H    6.612900      -3.218700       1.449300    
 H   0.3903000      -2.779000      -1.577600    
 H   0.4176000      -2.957000      0.1989000    
 H    1.696000      -3.663100     -0.7982000    
 H    7.716600      -1.270300       1.870500    
 H   -6.988700      0.2687000     -0.5666000    
 H   -5.156200       1.365400      7.4699998E-02
 H   -7.844200      -1.450700       1.833800    
 H   -6.970500      7.9899997E-02   1.933900    
 H   -8.627100      5.2600000E-02   1.307000    
 H   -7.762800      -1.651300      -1.939200    
 H   -8.418300      -2.428500     -0.4924000    
 H   -9.084800     -0.8814000      -1.042300    
 H   -3.866100       5.308600      0.2240000    
 H   -2.450900       4.847600       1.197200    
 H   -2.348100       4.884800     -0.5998000    


%chk=000112189-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112189

0 1
S -3.052323 -1.442910 -0.215660
O 7.267039 -1.354933 2.242873
O -5.828637 -2.638638 -0.254748
O -3.912271 3.497064 -0.200852
O -1.598396 3.203219 -0.168318
N 5.482397 -0.486973 -0.100168
N -0.154551 -0.831542 -0.161613
N -0.830325 0.316332 -0.182342
C 6.226865 0.811244 -0.099988
C 5.369420 1.924012 0.539685
C 3.991511 2.018929 -0.143286
C 4.092434 -0.550020 -0.105305
C 3.301636 0.664638 -0.136811
C 6.307633 -1.705409 -0.045102
C 6.709198 1.168415 -1.528496
C 3.404592 -1.811106 -0.082988
C 1.913702 0.567573 -0.147420
C 2.006361 -1.908454 -0.112284
C 1.235188 -0.693984 -0.145582
C 6.487342 -2.262712 1.387524
C 1.321437 -3.259851 -0.100105
C -2.192460 0.186822 -0.197896
C -7.236931 -0.637325 -0.182922
C -4.645921 -0.566486 -0.232355
C -3.120548 1.262997 -0.203715
C -5.879833 -1.366868 -0.243180
C -4.481562 0.819446 -0.223374
C -7.677686 -0.553452 1.307765
C -8.288978 -1.381150 -1.035631
C -2.743474 2.694472 -0.189213
C -3.663251 4.953472 -0.184903
H 7.110139 0.650821 0.546265
H 5.238580 1.700999 1.614952
H 5.913259 2.882709 0.458936
H 3.355239 2.762107 0.368877
H 4.112027 2.381830 -1.184070
H 5.874058 -2.490447 -0.692499
H 7.301975 -1.467816 -0.467942
H 7.327145 2.084629 -1.502223
H 7.324162 0.357586 -1.960562
H 5.857452 1.340964 -2.208457
H 3.971395 -2.745048 -0.040001
H 1.292607 1.470930 -0.157740
H 5.510333 -2.350838 1.888058
H 6.955306 -3.269428 1.336556
H 0.692147 -3.392467 -0.997725
H 0.640146 -3.351315 0.763747
H 2.059059 -4.079882 -0.060159
H 8.224268 -1.413930 1.994179
H -7.119456 0.392229 -0.569668
H -5.307836 1.531213 -0.229578
H -7.798870 -1.569968 1.723365
H -6.937138 -0.013169 1.924913
H -8.645984 -0.026609 1.387596
H -8.020800 -1.368219 -2.107493
H -8.355904 -2.435637 -0.717866
H -9.281151 -0.907880 -0.919664
H -4.663266 5.410504 -0.191683
H -3.102412 5.239591 0.721410
H -3.083086 5.255815 -1.073612


