%chk=000153519.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153519

0 1
 S   -5.232900      0.4506000      0.4112000    
 O   -5.275200      0.9642000       1.774500    
 O   -5.987700       1.132900     -0.6315000    
 N   0.4393000      0.1581000      -1.348600    
 N    4.036400     -0.1971000      0.7726000    
 N   -5.696600      -1.194200      0.4328000    
 C    1.658700      3.7799999E-02 -0.6289000    
 C    2.172400      -1.231200     -0.3431000    
 C    2.335100       1.189200     -0.2134000    
 C    3.380900      -1.302900      0.3701000    
 C    3.537400       1.022800      0.4946000    
 C  -0.8976000      0.2262000     -0.9345000    
 C    1.513700      -2.405000     -0.7485000    
 C    1.841900       2.476900     -0.4870000    
 C   -3.567400      0.3654000     -0.1057000    
 C   -1.924900      0.3464000      -1.877300    
 C   -1.218300      0.1760000      0.4267000    
 C    3.897500      -2.563500      0.6577000    
 C    4.215600       2.165300      0.9108000    
 C   -3.255500      0.4160000      -1.464300    
 C   -2.548800      0.2453000      0.8398000    
 C    2.051300      -3.653100     -0.4484000    
 C    2.539100       3.603000     -5.9799999E-02
 C    3.245600      -3.732100      0.2562000    
 C    3.728300       3.446500      0.6407000    
 C   -4.988000      -2.143300       1.303300    
 H   0.5795000      0.1984000      -2.353900    
 H   0.5805000      -2.379400      -1.305100    
 H   0.9177000       2.635400      -1.036500    
 H   -1.697100      0.3854000      -2.939800    
 H  -0.4458000      8.2099997E-02   1.185500    
 H    4.832100      -2.651800       1.208700    
 H    5.149700       2.069000       1.461200    
 H   -4.032400      0.5017000      -2.218700    
 H   -2.769000      0.2002000       1.902700    
 H    1.541300      -4.558300     -0.7635000    
 H    2.156800       4.596500     -0.2733000    
 H    3.673900      -4.701000      0.4955000    
 H    4.280300       4.318600      0.9784000    
 H   -6.121700      -1.593200     -0.4133000    
 H   -5.660700      -2.972700       1.540000    
 H   -4.685500      -1.676400       2.243600    
 H   -4.113600      -2.545900      0.7861000    


%chk=000153519-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153519

0 1
S -5.274358 0.882753 0.171761
O -5.205322 1.739491 1.550883
O -6.036903 1.366149 -1.179696
N 0.469336 -0.394585 -1.418711
N 4.174114 -0.180841 0.775008
N -6.132352 -0.679048 0.634789
C 1.666013 -0.306176 -0.653582
C 2.502055 -1.463200 -0.552749
C 2.092394 0.921102 -0.054892
C 3.771992 -1.335155 0.156457
C 3.354790 0.914275 0.683124
C -0.841914 -0.078356 -1.017577
C 2.145136 -2.746181 -1.098646
C 1.378837 2.164447 -0.183016
C -3.493434 0.483994 -0.304833
C -1.875859 -0.097703 -2.002032
C -1.169289 0.237638 0.333837
C 4.645112 -2.476773 0.233255
C 3.795361 2.127542 1.321490
C -3.207580 0.182058 -1.649287
C -2.499801 0.526559 0.689690
C 3.013332 -3.830921 -0.998335
C 1.848218 3.321614 0.432153
C 4.281969 -3.692337 -0.337591
C 3.058849 3.301395 1.207095
C -5.611011 -1.366317 1.831319
H 0.551984 -0.881717 -2.313726
H 1.165267 -2.882299 -1.570064
H 0.462053 2.200836 -0.777685
H -1.626029 -0.313940 -3.047704
H -0.388053 0.253854 1.098026
H 5.593717 -2.341477 0.761449
H 4.734653 2.080276 1.880572
H -4.001962 0.206115 -2.402650
H -2.761680 0.802139 1.716523
H 2.724666 -4.803146 -1.412361
H 1.294490 4.259990 0.320748
H 4.953642 -4.555095 -0.272823
H 3.404707 4.220261 1.692605
H -6.248130 -1.243551 -0.221617
H -6.360319 -2.118776 2.134832
H -5.533298 -0.626983 2.646036
H -4.629091 -1.869109 1.695524


