%chk=000080400.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080400

0 1
 S    1.362200      -3.334700      3.9999999E-04
 O    1.917600      -3.686900      -1.284000    
 O    1.916700      -3.687400       1.285300    
 O    4.233500      -1.446000      3.0000001E-04
 O   0.9307000       2.856900      2.0000001E-03
 N    1.259500      -1.664700      7.9999998E-04
 N   -1.789900       1.760900      6.0000003E-04
 N   -3.900100     -6.4499997E-02 -1.2000001E-03
 C  -3.3500001E-02  -1.330800      1.9999999E-04
 C   -1.019300      -2.258100     -3.0000001E-04
 C  -0.2062000      2.0099999E-02  5.0000002E-04
 C    2.047400     -0.5734000      1.3000000E-03
 C  -0.4074000      -3.506500     -3.0000001E-04
 C    1.154100      0.5175000      8.9999998E-04
 C   -2.353200      -1.923300     -6.0000003E-04
 C   -1.569700      0.4331000       0.000000    
 C   -2.639700     -0.5231000     -7.9999998E-04
 C    3.478100     -0.4821000      1.2000001E-03
 C    1.662200       1.875400      6.0000003E-04
 C   -1.203400      -4.618000     -5.0000002E-04
 C   -3.173700      -3.079800     -1.2000001E-03
 C    4.013600      0.9106000      6.9999998E-04
 C    3.149900       2.026200     -3.9999999E-04
 C   -2.601100      -4.392300     -8.9999998E-04
 C   -3.062300       2.181900      3.9999999E-04
 C   -4.125400       1.262700     -5.0000002E-04
 C    5.400400       1.101600      6.0000003E-04
 C    3.690900       3.317900     -2.2000000E-03
 C    5.926200       2.393800     -1.2000001E-03
 C    5.074800       3.497400     -2.9000000E-03
 C   -3.342400       3.545900      1.4000000E-03
 C   -5.432200       1.743300     -1.1000000E-03
 C   -4.654100       4.016000      1.2000001E-03
 C   -5.704100       3.110400       0.000000    
 H  -0.7991000      -5.622400     -3.9999999E-04
 H   -4.256600      -2.979000     -1.6000000E-03
 H   -3.271100      -5.250400     -1.2000001E-03
 H    6.087100      0.2595000      1.5000000E-03
 H    3.053100       4.197800     -3.1999999E-03
 H    7.002600       2.540300     -1.5000000E-03
 H    5.490100       4.501200     -4.4999998E-03
 H   -2.527400       4.267000      2.2000000E-03
 H   -6.266500       1.044400     -2.0999999E-03
 H   -4.851200       5.083500      2.0000001E-03
 H   -6.731000       3.462300     -1.9999999E-04


%chk=000080400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080400

0 1
S 1.418449 -3.714473 -0.000353
O 2.005180 -4.255893 -1.395332
O 2.005432 -4.255672 1.394596
O 4.321936 -1.444525 -0.000561
O 1.056926 3.060216 -0.000603
N 1.383702 -1.637256 -0.000480
N -1.831568 1.874047 -0.000270
N -3.908474 -0.121392 0.000008
C 0.062789 -1.284498 -0.000387
C -0.933339 -2.289370 -0.000213
C -0.126712 0.110047 -0.000448
C 2.134273 -0.468198 -0.000595
C -0.521112 -3.628026 -0.000168
C 1.228410 0.647127 -0.000715
C -2.299050 -1.920967 -0.000073
C -1.522733 0.554328 -0.000282
C -2.600990 -0.475415 -0.000159
C 3.597138 -0.397951 -0.000586
C 1.782961 2.019686 -0.001131
C -1.420058 -4.692525 0.000011
C -3.242055 -2.985681 0.000104
C 4.152041 0.990777 -0.000489
C 3.291671 2.131404 -0.000646
C -2.806799 -4.330127 0.000147
C -3.165115 2.225672 -0.000106
C -4.217936 1.222827 0.000029
C 5.556612 1.163466 -0.000184
C 3.862863 3.426110 -0.000481
C 6.113935 2.458558 -0.000014
C 5.264078 3.592048 -0.000174
C -3.516648 3.613359 -0.000069
C -5.587582 1.635659 0.000162
C -4.861443 3.988248 0.000080
C -5.900439 2.996296 0.000193
H -1.112820 -5.741590 0.000052
H -4.308249 -2.743157 0.000196
H -3.549744 -5.134072 0.000282
H 6.187210 0.268537 -0.000064
H 3.187237 4.287340 -0.000639
H 7.201345 2.587724 0.000243
H 5.694451 4.599101 -0.000069
H -2.702811 4.344434 -0.000169
H -6.361546 0.862032 0.000244
H -5.133460 5.049212 0.000108
H -6.947851 3.316733 0.000306


