%chk=000132760.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132760

0 1
 S    1.538200      0.9868000       1.277500    
 O  -3.9999999E-02  -3.098700     -0.2839000    
 O   -2.465100     -0.7989000     -0.9227000    
 O   -3.204500      -1.703700       1.076300    
 O    4.723600      -1.841100       1.018700    
 O   -4.851300     -0.9141000      -1.180000    
 O   -4.257000       1.260500      -1.641000    
 N  -8.1000000E-02  -1.092300      0.9563000    
 N    2.760100      -1.437400     -0.1503000    
 C    1.106500     -0.7151000       1.701900    
 C    1.836800      -1.824700      0.9150000    
 C   0.4227000      -2.215800      0.3998000    
 C   -1.240200     -0.3822000      0.9702000    
 C  -4.2100001E-02   1.657600       1.902000    
 C   -1.278600      0.8880000       1.441300    
 C   -2.419800      -1.047300      0.4104000    
 C    4.147600      -1.479700     -4.1999999E-03
 C   -2.484700       1.687400       1.551200    
 C    4.867400      -1.023600      -1.258300    
 C   -6.462600      0.7751000     -0.7082000    
 C    5.748700      0.1771000      -1.036400    
 C   -2.489200       2.930300       2.017300    
 C   -3.570100      -1.378800      -1.635800    
 C   -5.065800      0.4341000      -1.236500    
 C   -6.688200       2.289600     -0.8105000    
 C   -7.522100      5.3300001E-02  -1.556300    
 C   -6.590000      0.3114000      0.7490000    
 C    5.222800       1.450600      -1.202700    
 C    7.074400     -6.8000001E-03 -0.6695000    
 C    6.039400       2.563000     -0.9977000    
 C    7.890800       1.105300     -0.4644000    
 C    7.373200       2.390300     -0.6285000    
 H    1.018600     -0.9175000       2.775900    
 H    2.259500      -2.605400       1.559800    
 H    2.382000      -1.110400      -1.036200    
 H  -1.9600000E-02   2.673700       1.498500    
 H   7.9999998E-04   1.700200       2.995900    
 H   -3.424700       1.255600       1.225300    
 H    5.467600      -1.870800      -1.614900    
 H    4.161100     -0.8116000      -2.070200    
 H   -1.645200       3.487100       2.400400    
 H   -3.436800       3.462700       2.055800    
 H   -3.538500      -2.468900      -1.530900    
 H   -3.458500      -1.143400      -2.699700    
 H   -7.683000       2.568300     -0.4455000    
 H   -5.949400       2.840700     -0.2169000    
 H   -6.601900       2.637100      -1.846600    
 H   -7.432700      -1.036100      -1.477300    
 H   -7.417000      0.3103000      -2.616700    
 H   -8.535700      0.3258000      -1.241500    
 H   -5.826200      0.7807000       1.378500    
 H   -6.467600     -0.7733000      0.8449000    
 H   -7.570600      0.5725000       1.162400    
 H    4.184700       1.595300      -1.488100    
 H    7.486900      -1.003000     -0.5374000    
 H    5.636200       3.563400      -1.124800    
 H    8.929400      0.9710000     -0.1764000    
 H    8.008900       3.256200     -0.4685000    


%chk=000132760-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132760

0 1
S 1.914454 0.924819 1.864366
O 0.965417 -1.593958 -1.742689
O -2.578213 0.670426 -1.254930
O -2.066990 -1.582568 -0.883327
O 4.430253 -3.233570 1.236957
O -4.851295 -0.088233 -1.518187
O -5.386800 2.177724 -1.338273
N 0.251242 -0.759163 0.445697
N 3.513025 -1.317567 0.288731
C 1.261028 -0.813977 1.520695
C 2.156701 -1.708151 0.579377
C 1.077516 -1.418357 -0.522195
C -0.850760 0.115322 0.357639
C 0.161973 1.585491 2.187561
C -0.938954 1.228588 1.189721
C -1.875397 -0.377441 -0.620777
C 4.585176 -2.136274 0.625143
C -2.133826 2.085696 1.226999
C 5.984105 -1.642984 0.201074
C -6.923327 0.461769 -0.368070
C 6.056491 -0.277016 -0.460291
C -2.334871 3.142164 2.071663
C -3.615800 0.264624 -2.212594
C -5.684942 0.988754 -1.105552
C -7.822167 1.660235 0.017521
C -7.694889 -0.517820 -1.300614
C -6.449507 -0.296271 0.908672
C 5.863867 -0.139011 -1.860853
C 6.296060 0.891139 0.310096
C 5.910078 1.132694 -2.475630
C 6.344220 2.164192 -0.301773
C 6.150686 2.288831 -1.697210
H 0.904909 -1.263210 2.459765
H 2.177234 -2.761088 0.912931
H 3.695157 -0.438903 -0.204091
H 0.295958 2.679535 2.207030
H -0.126668 1.265205 3.205055
H -2.917990 1.854527 0.501635
H 6.604092 -1.678051 1.115293
H 6.383643 -2.428339 -0.467748
H -1.609642 3.469703 2.824707
H -3.264665 3.717401 2.016001
H -3.315156 -0.649536 -2.743719
H -3.756378 1.149793 -2.849460
H -8.715211 1.292518 0.554111
H -7.286222 2.369683 0.671543
H -8.154782 2.215709 -0.876572
H -7.065153 -1.377465 -1.583076
H -8.032541 -0.010887 -2.222991
H -8.589206 -0.892794 -0.770471
H -5.893932 0.373744 1.590612
H -5.800195 -1.148336 0.647025
H -7.333510 -0.678060 1.451231
H 5.681802 -1.031990 -2.471501
H 6.448784 0.800863 1.392604
H 5.760954 1.220414 -3.557460
H 6.533528 3.054963 0.307462
H 6.188835 3.274896 -2.173065


