%chk=000005478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005478

0 1
 S    2.396800      -3.213400       1.106200    
 O    2.869600       3.167500     -0.2779000    
 O   0.1281000     -0.9516000     -0.7046000    
 O   -1.318800     -0.3672000      -3.005900    
 N   -3.249800     -0.4206000      0.1491000    
 N    2.479800      0.4523000      0.3509000    
 N    3.117700      -1.700700       1.192500    
 N    1.018300      -2.840400      0.2253000    
 C   -3.855600      0.6584000      0.9363000    
 C   -2.602700      0.1139000      -1.036900    
 C   -1.961300     -0.9853000      -1.887300    
 C    1.436500       1.439500      0.6520000    
 C    3.834400       1.016100      0.2727000    
 C   -4.906000       1.381400      8.5100003E-02
 C   -2.752300       1.636400       1.354100    
 C   -4.513900      4.6999998E-02   2.177800    
 C    1.553600       2.614800     -0.3138000    
 C    3.837400       2.199600     -0.6864000    
 C  -0.9259000      -1.811200      -1.127200    
 C    2.280400     -0.8985000      0.5312000    
 C    1.133700      -1.538100      6.6999998E-03
 H   -3.962500      -1.097000     -0.1239000    
 H   -3.303500      0.6322000      -1.700100    
 H   -1.809900      0.8315000     -0.8034000    
 H   -2.741800      -1.648700      -2.278900    
 H   0.4235000       1.032500      0.6107000    
 H    1.594200       1.795300       1.678100    
 H    4.557700      0.2711000     -7.8900002E-02
 H    4.138700       1.340800       1.275000    
 H   -5.598900      0.6769000     -0.3901000    
 H   -5.511700       2.043700      0.7163000    
 H   -4.475500       2.022300     -0.6912000    
 H   -2.399400       2.278100      0.5401000    
 H   -1.890600       1.114900       1.787700    
 H   -3.127800       2.319200       2.126800    
 H   -3.781900     -0.4875000       2.794700    
 H   -4.971800      0.8204000       2.805000    
 H   -5.302000     -0.6642000       1.903400    
 H    1.313600       2.311800      -1.340200    
 H   0.8508000       3.403600     -2.7500000E-02
 H    4.819200       2.683400     -0.6815000    
 H    3.625100       1.884000      -1.715000    
 H   -1.396800      -2.309800     -0.2712000    
 H  -0.5185000      -2.568200      -1.810400    
 H  -0.9456000      -1.075700      -3.557500    


%chk=000005478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005478

0 1
S 2.148814 -2.760351 1.885012
O 3.212722 3.297432 -0.879746
O -0.021681 -0.874366 -0.716032
O -1.474146 -0.401992 -3.153521
N -3.622920 -0.420340 -0.119161
N 2.365881 0.732154 0.142519
N 2.818813 -1.109149 1.580593
N 0.765617 -2.567220 0.750507
C -3.847075 0.424668 1.100904
C -2.797963 0.122331 -1.218578
C -2.101516 -1.026965 -1.978539
C 1.372108 1.687173 -0.412123
C 3.588911 1.385066 0.672010
C -4.451089 1.818518 0.754217
C -2.507737 0.602860 1.859738
C -4.835933 -0.362790 1.995114
C 2.053736 2.592374 -1.451864
C 4.192481 2.309401 -0.398124
C -1.117486 -1.804658 -1.102895
C 2.029494 -0.515329 0.652029
C 0.877446 -1.349207 0.215532
H -4.520777 -0.785202 -0.467722
H -3.364028 0.720899 -1.964893
H -2.014921 0.778367 -0.804213
H -2.872020 -1.765298 -2.300971
H 0.546744 1.135126 -0.884653
H 0.964275 2.317966 0.408580
H 4.307214 0.601417 0.964871
H 3.339871 1.969702 1.583476
H -5.430384 1.707023 0.250990
H -4.601469 2.424433 1.667237
H -3.781931 2.385370 0.080962
H -1.776480 1.193315 1.277491
H -2.059694 -0.382299 2.078709
H -2.678518 1.134815 2.813133
H -4.418068 -1.352706 2.249984
H -5.038867 0.187013 2.931120
H -5.803731 -0.516471 1.478106
H 2.378087 1.983666 -2.323378
H 1.362672 3.381628 -1.789824
H 5.025315 2.896488 0.022339
H 4.561007 1.702175 -1.253330
H -1.636134 -2.158421 -0.194351
H -0.664641 -2.668585 -1.627752
H -0.887400 -1.059531 -3.605605


