%chk=000153468.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153468

1 1
 S   0.9600000       2.543000      -1.153300    
 S    2.734700      -2.284600     -0.7098000    
 O   -4.611200     -0.3422000      7.8500003E-02
 O    5.085200     -0.7129000      0.8444000    
 N   0.8967000       1.325300      0.1517000    
 C  -0.8888000     -0.4182000     -0.6241000    
 C  -0.5653000      0.7914000      0.3139000    
 C   0.1046000      -1.550500     -0.2663000    
 C    1.911600      0.2640000     -0.1131000    
 C    1.541200      -1.033000     -0.3114000    
 C  -0.7898000     -0.1144000      -2.142500    
 C   -2.347400     -0.8401000     -0.4301000    
 C   -1.695600       1.810900      0.3576000    
 C  -0.1489000      -2.231900       1.094900    
 C    1.288600       2.055000       1.455700    
 C   -3.291600      3.3399999E-02 -4.4700000E-02
 C   -2.970400       1.422300      0.1988000    
 C    3.319500      0.6758000     -0.1490000    
 C    4.229000     -5.8300000E-02  0.3733000    
 C   -4.762000      -1.334900       1.075600    
 H  -0.5588000      0.4074000       1.344900    
 H  -2.3100000E-02  -2.331000      -1.031300    
 H   -1.160100     -0.9599000      -2.737200    
 H   -1.387200      0.7608000      -2.423300    
 H   0.2360000      6.0800001E-02  -2.477900    
 H   -2.613900      -1.862900     -0.6840000    
 H   -1.494200       2.850900      0.5903000    
 H   0.5051000      -3.102000       1.223100    
 H   4.2700000E-02  -1.564000       1.940500    
 H   -1.175200      -2.601500       1.179100    
 H    2.252000       2.562000       1.334300    
 H   0.5207000       2.794000       1.703400    
 H    1.352100       1.310200       2.256800    
 H   -3.781300       2.138700      0.2709000    
 H   0.3172000       3.540800     -0.5301000    
 H    3.589100       1.645000     -0.5505000    
 H    1.916700      -3.345200     -0.7707000    
 H   -5.831300      -1.442500       1.283200    
 H   -4.269300      -1.050000       2.012900    
 H   -4.396100      -2.308500      0.7333000    


%chk=000153468-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153468

1 1
S 0.827680 2.536636 -1.453013
S 2.803478 -2.293007 -0.729655
O -4.620167 -0.113873 0.610453
O 5.402090 -0.267742 0.644688
N 0.905105 1.268707 0.176707
C -0.922515 -0.473310 -0.396526
C -0.523858 0.744940 0.482471
C 0.095382 -1.622349 -0.087594
C 1.901391 0.213042 -0.133901
C 1.505490 -1.101335 -0.305884
C -0.918878 -0.176972 -1.928363
C -2.350060 -0.879163 -0.011123
C -1.564839 1.846652 0.488515
C -0.030820 -2.268989 1.322893
C 1.383248 2.133524 1.345865
C -3.266885 0.072648 0.356042
C -2.877463 1.488248 0.483003
C 3.269690 0.726229 -0.314444
C 4.384218 0.185470 0.203349
C -5.156242 -1.477622 0.477460
H -0.424755 0.367041 1.526470
H -0.093871 -2.418588 -0.836659
H -1.354590 -1.042530 -2.458071
H -1.538953 0.703983 -2.159524
H 0.094407 -0.016745 -2.341900
H -2.642366 -1.915215 -0.212001
H -1.277619 2.896090 0.597760
H 0.660568 -3.123620 1.423994
H 0.209839 -1.559158 2.134259
H -1.057764 -2.633793 1.486870
H 2.351810 2.585602 1.096645
H 0.631751 2.906481 1.559946
H 1.505728 1.477638 2.222890
H -3.679995 2.226776 0.571415
H 0.953581 3.696281 -0.695579
H 3.414723 1.597245 -0.970720
H 1.957105 -3.382539 -0.862139
H -6.221064 -1.394027 0.732972
H -4.650347 -2.166149 1.180887
H -5.043035 -1.843307 -0.560662


