%chk=000178382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178382

0 1
 S  -0.6032000      -2.187300     -0.6261000    
 P   4.4300001E-02 -0.6083000      0.6157000    
 O   2.0500001E-02  -1.086500       2.046700    
 N    1.544300     -0.1453000      7.0299998E-02
 N  -0.9542000      0.6834000      0.3055000    
 C    2.123700       1.049700      0.6984000    
 C    2.547800      -1.211100     -5.4400001E-02
 C   -1.076900       1.086500      -1.101900    
 C   -2.268800      0.6607000      0.9609000    
 C    3.341500       1.572100     -6.0899999E-02
 C    3.780200     -0.7607000     -0.8361000    
 C   -1.757200       2.444900      -1.259700    
 C   -2.988400       2.004600      0.8677000    
 C    4.399000      0.4886000     -0.2239000    
 C   -3.118700       2.464600     -0.5780000    
 C   -2.229100      -2.658500     -2.0999999E-03
 C   -2.804900      -3.797400     -0.8222000    
 H    2.395100      0.8279000       1.738200    
 H    1.384200       1.856900      0.7328000    
 H    2.140500      -2.078100     -0.5804000    
 H    2.842800      -1.559800      0.9434000    
 H   -1.643800      0.3390000      -1.669000    
 H  -8.7800004E-02   1.155600      -1.567300    
 H   -2.151300      0.4107000       2.020900    
 H   -2.928900     -8.0300003E-02  0.5230000    
 H    3.769800       2.429500      0.4704000    
 H    3.030000       1.931600      -1.050000    
 H    3.499700     -0.5574000      -1.877400    
 H    4.521600      -1.567500     -0.8564000    
 H   -1.873200       2.680300      -2.323600    
 H   -1.119500       3.226200     -0.8269000    
 H   -2.433300       2.757200       1.442000    
 H   -3.982700       1.926600       1.322200    
 H    5.217400      0.8522000     -0.8549000    
 H    4.829200      0.2443000      0.7550000    
 H   -3.544600       3.473100     -0.6158000    
 H   -3.808500       1.801800      -1.114500    
 H   -2.155900      -2.937200       1.052600    
 H   -2.926900      -1.835500     -0.1054000    
 H   -2.921000      -3.519100      -1.875400    
 H   -2.174100      -4.691100     -0.7658000    
 H   -3.795300      -4.068500     -0.4413000    


%chk=000178382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178382

0 1
S -1.210373 -2.090609 -1.392671
P -0.621518 -0.677792 0.386506
O -1.124145 -1.302981 1.781890
N 1.074959 -0.367727 0.077113
N -1.312885 0.906515 0.117019
C 1.738460 0.727795 0.841462
C 1.994045 -1.484838 -0.261834
C -1.137731 1.557571 -1.205453
C -2.605798 1.209265 0.782912
C 2.899999 1.311296 0.008450
C 3.158736 -0.950337 -1.123565
C -1.246208 3.090005 -1.048233
C -2.730983 2.733892 0.986412
C 3.896705 0.202744 -0.404174
C -2.572922 3.484631 -0.357037
C -2.043206 -3.439080 -0.323402
C -1.153265 -4.676289 -0.155064
H 2.132724 0.334555 1.805943
H 0.986448 1.502331 1.069140
H 1.426152 -2.256404 -0.810106
H 2.399251 -1.946459 0.667558
H -1.916513 1.195949 -1.915625
H -0.150700 1.272652 -1.609378
H -2.634560 0.669171 1.744351
H -3.454870 0.846136 0.158654
H 3.411921 2.094550 0.600983
H 2.484210 1.795142 -0.897145
H 2.749268 -0.591193 -2.087521
H 3.856182 -1.781487 -1.344409
H -1.171252 3.561813 -2.047081
H -0.390315 3.449775 -0.443849
H -1.947556 3.065251 1.695257
H -3.713657 2.957968 1.444412
H 4.690902 0.618654 -1.052577
H 4.397299 -0.194106 0.503592
H -2.613003 4.578555 -0.196797
H -3.422530 3.224725 -1.022300
H -2.257337 -2.964649 0.651514
H -2.990183 -3.665850 -0.841146
H -0.876244 -5.117848 -1.128579
H -0.227412 -4.417718 0.387856
H -1.688693 -5.447174 0.433222


