%chk=000186500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186500

0 1
S -1.864160 1.569752 -0.196525
O -0.666528 -2.998593 -1.748269
O -2.066671 2.075936 -1.544037
O -0.971054 2.281174 0.702147
N -1.359835 -0.065439 -0.390109
C -1.612950 -1.902530 -1.986344
C -1.059914 -0.503176 -1.780523
C -1.111769 -2.752643 -3.120021
C -0.507502 -0.748386 0.638218
C 0.979321 -0.509515 0.419354
C 5.258104 0.003754 -0.224518
C -0.939852 -0.369521 2.055465
C 3.756417 -0.166646 0.020823
C 1.600030 0.698995 0.751183
C 1.751173 -1.539806 -0.140362
C -3.403452 1.410894 0.587167
C 2.973250 0.867344 0.552303
C 3.121080 -1.369145 -0.335797
C 5.451851 0.320064 -1.721351
C 6.008874 -1.293509 0.139519
C 5.850658 1.148598 0.619693
C -4.473761 0.812254 -0.082759
C -3.574137 1.906648 1.883577
C -5.716749 0.698438 0.548699
C -4.815635 1.794637 2.516127
C -5.885693 1.189017 1.847879
H -2.601167 -2.090908 -1.553239
H -1.531408 0.193212 -2.521284
H 0.037666 -0.485776 -1.991787
H -0.328733 -2.396890 -3.785690
H -1.729773 -3.543791 -3.537803
H -0.714088 -1.853375 0.498856
H -0.394223 -0.981284 2.786889
H -2.009077 -0.542479 2.219039
H -0.712606 0.679005 2.304873
H 1.006788 1.528493 1.156080
H 1.272289 -2.476891 -0.439114
H 3.423903 1.824112 0.813564
H 3.700484 -2.181480 -0.772715
H 6.509305 0.456500 -1.966466
H 5.065574 -0.484832 -2.355028
H 4.924224 1.237806 -2.003588
H 5.713252 -2.131026 -0.500926
H 7.090838 -1.169629 0.030510
H 5.810826 -1.585553 1.176493
H 5.411438 2.117500 0.358589
H 6.931293 1.234083 0.465887
H 5.683035 0.982389 1.689286
H -4.348213 0.436868 -1.101917
H -2.736468 2.388481 2.402343
H -6.551667 0.232592 0.027868
H -4.949762 2.181559 3.525143
H -6.854926 1.101718 2.340396


%chk=000186500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186500

0 1
S -1.970210 1.647775 -0.122784
O -0.862031 -2.954598 -1.974154
O -2.338995 2.216941 -1.613071
O -1.006212 2.529576 0.868086
N -1.458927 -0.214573 -0.443434
C -1.620822 -1.698544 -2.365724
C -1.054820 -0.381695 -1.865558
C -0.907658 -2.495972 -3.413304
C -0.515058 -0.852894 0.552913
C 0.982823 -0.588596 0.341856
C 5.339839 -0.020419 -0.219400
C -0.971930 -0.608628 2.005291
C 3.815351 -0.195070 -0.018465
C 1.577001 0.675228 0.579464
C 1.820121 -1.649243 -0.091164
C -3.601833 1.413245 0.800957
C 2.966271 0.861995 0.400584
C 3.206362 -1.456182 -0.262064
C 5.706875 -0.342420 -1.699705
C 6.100077 -1.001999 0.723476
C 5.815356 1.421370 0.094679
C -4.690099 0.869249 0.100006
C -3.668772 1.856884 2.129914
C -5.918477 0.748695 0.789195
C -4.907176 1.730724 2.801840
C -6.024103 1.175208 2.135170
H -2.707374 -1.812692 -2.258749
H -1.495704 0.450800 -2.451883
H 0.044696 -0.361322 -1.997995
H 0.049128 -2.127975 -3.804868
H -1.482512 -3.143678 -4.085987
H -0.685279 -1.927718 0.328513
H -0.398951 -1.270660 2.676851
H -2.045641 -0.838778 2.121120
H -0.787015 0.431111 2.324323
H 0.952516 1.522088 0.888021
H 1.375279 -2.628048 -0.308968
H 3.383764 1.855210 0.591435
H 3.818151 -2.302771 -0.595733
H 6.797587 -0.238638 -1.853564
H 5.421986 -1.373250 -1.977243
H 5.191811 0.349415 -2.391224
H 5.831550 -2.053997 0.519474
H 7.192755 -0.896723 0.583945
H 5.863361 -0.791349 1.782496
H 5.330879 2.164674 -0.565104
H 6.907093 1.494452 -0.063524
H 5.609763 1.701661 1.144321
H -4.588404 0.565798 -0.946057
H -2.787450 2.296821 2.607884
H -6.788753 0.327869 0.274953
H -4.996246 2.069629 3.839139
H -6.980045 1.081014 2.661618


