%chk=000065735.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065735

0 1
 S   -3.509600       1.235100       1.341200    
 O    1.120500     -0.2385000     -2.9800000E-02
 O   8.9500003E-02  -2.255800      7.5499997E-02
 N    4.782900     -0.4910000      0.3396000    
 N   -1.211200     -0.2970000     -0.1172000    
 C    3.485300      0.1385000      0.1445000    
 C    5.846500      0.5157000      0.3789000    
 C    5.050000      -1.467200     -0.7194000    
 C    2.377700     -0.9029000      0.1475000    
 C   -1.241600       1.140100     -0.2679000    
 C   -2.490100     -0.9667000     -3.1500001E-02
 C   -2.237000       1.935300      0.3234000    
 C   -3.605100     -0.3668000      0.5808000    
 C   8.9999998E-04  -1.035600     -5.1800001E-02
 C    5.592000       1.541100       1.470700    
 C    6.371500      -2.180300     -0.4881000    
 C  -0.2851000       1.787600      -1.075500    
 C   -2.665000      -2.251300     -0.5814000    
 C   -2.232100       3.329900      0.1547000    
 C   -4.831500      -1.047700      0.6616000    
 C  -0.2888000       3.173900      -1.247100    
 C   -3.889300      -2.921400     -0.5051000    
 C   -1.258500       3.946800     -0.6248000    
 C   -4.972000      -2.321600      0.1211000    
 H    3.445000      0.7203000     -0.7864000    
 H    3.240600      0.8366000      0.9527000    
 H    6.806900      5.2200001E-02  0.6269000    
 H    5.962600       1.026500     -0.5854000    
 H    4.308900      -2.270400     -0.7163000    
 H    5.041300      -1.007700      -1.715700    
 H    2.365600      -1.452800       1.096200    
 H    2.464300      -1.604400     -0.6860000    
 H    4.808500       2.255700       1.200300    
 H    5.331500       1.066700       2.423100    
 H    6.501700       2.128800       1.639100    
 H    7.234300      -1.549300     -0.7223000    
 H    6.463600      -2.542400      0.5417000    
 H    6.437900      -3.053500      -1.147300    
 H   0.4514000       1.228800      -1.647300    
 H   -1.865800      -2.748100      -1.124800    
 H   -2.990900       3.951200      0.6261000    
 H   -5.691300     -0.5924000       1.148700    
 H   0.4581000       3.643700      -1.880400    
 H   -3.993800      -3.909200     -0.9447000    
 H   -1.266000       5.024600     -0.7555000    
 H   -5.923900      -2.839700      0.1838000    


%chk=000065735-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065735

0 1
S -3.106827 1.336190 1.571187
O 1.105937 -0.156934 -0.076067
O 0.076704 -2.206805 0.376284
N 4.838173 -0.317271 0.123554
N -1.202890 -0.290965 -0.149203
C 3.487880 0.268649 -0.057532
C 5.812055 0.615464 0.749870
C 5.351746 -0.973947 -1.109664
C 2.421766 -0.799225 0.216355
C -1.251278 1.104699 -0.533346
C -2.461832 -0.969485 0.085263
C -2.116421 1.981856 0.166273
C -3.459374 -0.317992 0.851258
C -0.002535 -0.991267 0.072721
C 5.567675 0.810423 2.258301
C 6.367922 -2.094332 -0.817561
C -0.512849 1.596679 -1.635915
C -2.723764 -2.250747 -0.453269
C -2.213576 3.341994 -0.199981
C -4.704131 -0.939282 1.088901
C -0.592456 2.958778 -1.990877
C -3.958379 -2.882999 -0.196255
C -1.437375 3.836033 -1.270567
C -4.949154 -2.231441 0.574638
H 3.338785 0.692252 -1.078872
H 3.345145 1.099932 0.654267
H 6.821752 0.188458 0.610972
H 5.815112 1.609470 0.234606
H 4.487366 -1.414254 -1.641524
H 5.802628 -0.225522 -1.810185
H 2.442952 -1.126406 1.269562
H 2.539190 -1.688986 -0.427767
H 4.574505 1.250555 2.462736
H 5.622507 -0.161169 2.779179
H 6.327862 1.488996 2.688595
H 7.270524 -1.710318 -0.309089
H 5.911424 -2.860169 -0.166884
H 6.694184 -2.574931 -1.758791
H 0.140696 0.915134 -2.186047
H -1.950698 -2.754972 -1.037149
H -2.896237 4.002057 0.344998
H -5.469864 -0.415432 1.670180
H -0.003022 3.332977 -2.834545
H -4.146607 -3.882827 -0.601004
H -1.505144 4.892710 -1.549719
H -5.909679 -2.720230 0.768509


