%chk=000135527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135527

0 1
 S   -3.455000      3.7099998E-02  -1.487300    
 O   -2.750900     -0.2212000      -2.734300    
 O   -3.579700       1.398500     -0.9923000    
 N    1.625300     -0.9554000      0.2352000    
 N   -4.995500     -0.7205000      -1.587900    
 N    5.224000       1.150900     -0.1910000    
 C   0.8371000     -0.8929000       1.419800    
 C  -0.6033000      -1.331600       1.123700    
 C   -1.272300     -0.4660000      5.1300000E-02
 C   -2.688400     -0.9427000     -0.2357000    
 C    2.845700     -0.2412000      9.0700001E-02
 C    1.474000      -1.790100       2.476200    
 C    4.034300     -0.9399000     -0.1438000    
 C    2.847400       1.154200      0.1842000    
 C    5.216800     -0.1932000     -0.2802000    
 C    4.076300       1.818900      3.4899998E-02
 C    4.061800      -2.342000     -0.2425000    
 C    1.667800       1.881900      0.4190000    
 C    6.403500     -0.8831000     -0.5138000    
 C    4.084400       3.208200      0.1269000    
 C   -5.963000     -0.4089000     -0.5695000    
 C    5.261400      -3.007700     -0.4766000    
 C    1.703000       3.270400      0.5067000    
 C    6.434400      -2.276400     -0.6124000    
 C    2.914000       3.934600      0.3603000    
 C   -6.295400      -1.368700      0.3784000    
 C   -6.553200      0.8488000     -0.5455000    
 C   -7.233000      -1.066500       1.365900    
 C   -7.490800       1.151000      0.4421000    
 C   -7.830700      0.1934000       1.397800    
 H   0.7886000      9.4999999E-02   1.881800    
 H   -1.194900      -1.290700       2.047000    
 H  -0.6095000      -2.378200      0.7912000    
 H   -1.312800      0.5736000      0.3939000    
 H  -0.6884000     -0.4792000     -0.8757000    
 H   -2.684400      -1.980700     -0.5834000    
 H   -3.296500     -0.8690000      0.6708000    
 H    1.529300      -1.788600     -0.3355000    
 H    1.560800      -2.824600       2.124600    
 H   0.8748000      -1.797000       3.393200    
 H    2.479300      -1.444400       2.741400    
 H   -4.977900      -1.715200      -1.850600    
 H    3.171900      -2.954700     -0.1323000    
 H   0.6832000       1.442200      0.4405000    
 H    7.336100     -0.3326000     -0.6238000    
 H    5.020700       3.751900      1.4200000E-02
 H    5.280700      -4.090700     -0.5499000    
 H   0.7876000       3.832400      0.6650000    
 H    7.376000      -2.786100     -0.7946000    
 H    2.951800       5.018200      0.4213000    
 H   -5.833900      -2.352300      0.3625000    
 H   -6.308100       1.599600      -1.291600    
 H   -7.497400      -1.811900       2.110200    
 H   -7.958600       2.130900      0.4652000    
 H   -8.561100      0.4286000       2.166300    


%chk=000135527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135527

0 1
S -3.570089 0.177229 -1.942821
O -3.223049 -0.299962 -3.455909
O -3.241716 1.678257 -1.424473
N 1.598207 -1.048180 0.189027
N -5.461648 -0.066208 -1.810428
N 5.295585 1.174761 0.054191
C 0.636017 -0.901759 1.325181
C -0.767044 -1.391488 0.888095
C -1.391334 -0.513926 -0.225229
C -2.741397 -1.070486 -0.666562
C 2.803470 -0.317615 0.116258
C 1.130568 -1.675183 2.573324
C 4.068961 -0.999160 0.025837
C 2.799481 1.118750 0.089032
C 5.285424 -0.193276 -0.026565
C 4.082960 1.813110 0.108353
C 4.203377 -2.432010 0.011973
C 1.601022 1.907452 -0.021519
C 6.557593 -0.858468 -0.137655
C 4.093893 3.252604 0.149230
C -6.049255 -0.143779 -0.519317
C 5.451663 -3.042532 -0.093730
C 1.650477 3.299185 -0.016559
C 6.643080 -2.246184 -0.179413
C 2.909191 3.980466 0.102234
C -6.829927 -1.273153 -0.138823
C -5.896949 0.945610 0.385570
C -7.476132 -1.294188 1.115354
C -6.516390 0.891559 1.650766
C -7.313278 -0.219587 2.021070
H 0.583184 0.170123 1.580221
H -1.426799 -1.398267 1.777882
H -0.687172 -2.445095 0.545156
H -1.532561 0.517212 0.150893
H -0.693239 -0.464916 -1.080888
H -2.691579 -2.001997 -1.253622
H -3.480087 -1.139502 0.149983
H 1.696383 -2.031566 -0.086377
H 1.150889 -2.766016 2.383682
H 0.465878 -1.493158 3.437824
H 2.150367 -1.354227 2.849340
H -5.681220 -0.832069 -2.468580
H 3.318205 -3.074954 0.096299
H 0.643301 1.404618 -0.176870
H 7.444473 -0.219207 -0.185776
H 5.073836 3.737782 0.192273
H 5.527907 -4.135320 -0.103214
H 0.727680 3.878134 -0.130576
H 7.618044 -2.738070 -0.266966
H 2.932778 5.075644 0.120756
H -6.943633 -2.116404 -0.832059
H -5.314190 1.818522 0.074922
H -8.095693 -2.155205 1.389720
H -6.395648 1.732125 2.343064
H -7.806567 -0.243629 2.998419


