%chk=000118812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118812

1 1
 S   -2.841400       2.012900       1.128200    
 S    1.404900       1.767000     -0.3819000    
 O   -3.124100      -2.670400      -4.073500    
 O    6.522000      -2.069000       2.810300    
 O   -3.046100      -3.859400      -2.142500    
 O    5.913800      -3.278500      0.9875000    
 N   -3.364900     -0.2116000      9.4700001E-02
 N    3.360700     -5.4299999E-02 -0.2140000    
 C   -2.356100      0.5497000      0.4140000    
 C    2.024900      0.1687000      0.1256000    
 C   -4.596500      0.3230000      0.3990000    
 C    3.920200       1.047200     -0.8899000    
 C   -3.210500      -1.510200     -0.5271000    
 C    4.165100      -1.232800      4.4799998E-02
 C  -0.2146000     -0.4082000       1.118300    
 C   -4.507000       1.577100      0.9902000    
 C    3.020100       2.121200      -1.071700    
 C  -0.9827000      0.2290000      0.2067000    
 C    1.184000     -0.6562000      0.7691000    
 C  -0.7126000     -0.8388000       2.488200    
 C   -3.201100      -1.429900      -2.050700    
 C    4.924900      -1.081400       1.357600    
 C   -5.842500     -0.2765000      0.1663000    
 C    5.219500       1.169400      -1.373100    
 C   -5.656800       2.282300       1.372100    
 C    3.391100       3.293400      -1.716000    
 C   -6.992100      0.4233000      0.5456000    
 C    5.602900       2.347000      -2.024200    
 C  -0.5119000      0.2317000       3.554900    
 C   -6.899300       1.682100       1.138700    
 C    4.695700       3.400600      -2.194000    
 C   -3.105400      -2.782900      -2.719300    
 C    5.815900      -2.265600       1.666000    
 H   -2.289700      -1.993100     -0.1779000    
 H   -4.000500      -2.187700     -0.1825000    
 H    3.524800      -2.122400      0.1019000    
 H    4.848300      -1.452700     -0.7846000    
 H  -0.6604000      0.3660000     -0.8206000    
 H    1.551600      -1.622500       1.108500    
 H   -1.774600      -1.108600       2.449000    
 H  -0.1946000      -1.756100       2.795000    
 H   -4.121500     -0.9478000      -2.398900    
 H   -2.351300     -0.8255000      -2.385900    
 H    4.216700     -0.9687000       2.186900    
 H    5.559800     -0.1888000       1.326400    
 H   -5.951300      -1.249300     -0.3013000    
 H    5.955500      0.3809000      -1.256500    
 H   -5.593100       3.262300       1.834100    
 H    2.691500       4.112000      -1.849900    
 H   -7.969800     -1.8900000E-02  0.3736000    
 H    6.617300       2.446800      -2.401400    
 H  -0.8859000     -0.1272000       4.519300    
 H   -1.036900       1.159200       3.317400    
 H   0.5507000      0.4683000       3.675800    
 H   -7.807100       2.207500       1.424700    
 H    5.012900       4.307200      -2.701900    
 H   -3.076100      -3.545900      -4.513400    
 H    7.104900      -2.830900       3.015300    


%chk=000118812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118812

1 1
S -3.349161 -0.163486 2.639720
S 1.072432 0.441244 -1.259119
O -1.628828 1.128263 -4.203846
O 6.486007 0.232290 3.526154
O -3.218221 -0.568871 -4.271682
O 6.007400 -1.942953 2.846070
N -3.451004 -0.507745 0.022287
N 3.275230 -0.463325 -0.112216
C -2.515349 -0.452654 1.050758
C 1.919529 -0.321887 0.162514
C -4.804709 -0.305928 0.401687
C 3.710740 0.035434 -1.367743
C -3.082545 -0.746882 -1.391834
C 4.227871 -1.083159 0.839684
C -0.059167 -0.673745 1.777126
C -4.959296 -0.112211 1.797624
C 2.652351 0.560274 -2.151760
C -1.123963 -0.558370 0.844495
C 1.314279 -0.659568 1.387347
C -0.288178 -0.838600 3.276451
C -2.742417 0.565682 -2.138188
C 4.880579 -0.033302 1.765403
C -5.937480 -0.291601 -0.444266
C 5.030675 0.039820 -1.874443
C -6.217354 0.088780 2.387662
C 2.861147 1.087921 -3.435197
C -7.204486 -0.087804 0.141325
C 5.250037 0.568024 -3.163967
C -0.222481 0.516310 4.038768
C -7.348438 0.099869 1.539605
C 4.182369 1.087081 -3.939420
C -2.581522 0.288709 -3.623498
C 5.829320 -0.709595 2.742065
H -2.235772 -1.451817 -1.430418
H -3.923407 -1.251100 -1.893337
H 3.707387 -1.855031 1.427455
H 4.996917 -1.617937 0.259189
H -0.842744 -0.608267 -0.211788
H 2.014059 -0.926825 2.187400
H -1.249871 -1.340186 3.483577
H 0.495088 -1.505997 3.682066
H -3.573463 1.288783 -2.022920
H -1.836020 1.050931 -1.744083
H 4.121219 0.525549 2.343898
H 5.442484 0.724132 1.189301
H -5.852006 -0.434957 -1.525158
H 5.870249 -0.352838 -1.294110
H -6.325463 0.233430 3.466320
H 2.033690 1.491287 -4.025808
H -8.091477 -0.075187 -0.499235
H 6.266053 0.577331 -3.570040
H -0.386923 0.352224 5.117853
H -0.988152 1.227484 3.682407
H 0.765642 0.992720 3.910560
H -8.342293 0.256009 1.969132
H 4.380216 1.492965 -4.935818
H -1.595569 0.968738 -5.187524
H 7.106089 -0.215456 4.164522


