%chk=000291321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291321

0 1
S 1.055287 0.208930 0.981736
O -2.739973 1.307456 0.247948
O -2.389026 -1.208796 1.235459
N -1.932451 0.371887 -0.417591
C -4.141937 1.343393 -0.258221
C -4.814222 -0.008598 -0.074684
C -4.678612 2.406094 0.705277
C -4.143413 1.813906 -1.710178
C -0.524686 -1.606550 -0.213099
C -1.671328 -0.807030 0.347826
C 0.805972 -1.230420 -0.001957
C -0.804496 -2.779942 -0.925661
C 1.858287 -2.000676 -0.497844
C 0.243967 -3.552594 -1.434084
C 1.571056 -3.162928 -1.221276
C 2.568504 0.913517 0.409360
C 2.806098 1.126108 -0.950050
C 3.481747 1.322116 1.383702
C 3.988800 1.762160 -1.340480
C 4.657528 1.966342 0.982437
C 4.911345 2.183774 -0.375908
H -4.527222 -0.720921 -0.855470
H -4.505652 -0.462974 0.884120
H -5.904050 0.071307 -0.075303
H -4.064434 3.314696 0.678590
H -4.661116 2.041572 1.741129
H -5.707350 2.681800 0.457860
H -3.658360 1.080305 -2.365698
H -5.161977 1.966113 -2.080060
H -3.597848 2.757247 -1.823213
H -1.131710 0.908626 -0.764435
H -1.840568 -3.087515 -1.077686
H 2.894751 -1.709767 -0.321929
H 0.025932 -4.462743 -1.991418
H 2.386235 -3.770707 -1.614099
H 2.085567 0.804335 -1.701748
H 3.289320 1.145465 2.443257
H 4.189019 1.933679 -2.397212
H 5.376788 2.295653 1.731359
H 5.829130 2.683078 -0.684058


%chk=000291321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291321

0 1
S 1.216627 -0.348783 1.503459
O -2.991757 0.455122 0.792499
O -2.671526 -1.796871 -0.835801
N -1.748810 -0.234189 0.628120
C -3.099498 1.727123 -0.063669
C -2.884445 1.382992 -1.546463
C -4.549692 2.139647 0.235868
C -2.078067 2.758985 0.451685
C -0.431353 -2.242932 -0.003190
C -1.711303 -1.403012 -0.106093
C 0.827054 -1.922268 0.591546
C -0.557737 -3.521929 -0.615179
C 1.891619 -2.856545 0.569717
C 0.498818 -4.451369 -0.633770
C 1.735529 -4.120880 -0.036743
C 1.691478 0.819476 0.139124
C 1.621704 0.480118 -1.229107
C 2.135901 2.101337 0.544075
C 2.001082 1.436627 -2.199537
C 2.510147 3.048617 -0.435020
C 2.444110 2.721023 -1.809750
H -1.836271 1.092407 -1.737855
H -3.535477 0.545299 -1.844376
H -3.112632 2.265377 -2.172712
H -4.699701 2.274007 1.321364
H -5.250142 1.365393 -0.119891
H -4.783851 3.091948 -0.272220
H -1.043215 2.398896 0.308527
H -2.180025 3.707284 -0.107266
H -2.240946 2.968124 1.523953
H -1.004042 0.025125 1.292363
H -1.524362 -3.744631 -1.078556
H 2.843743 -2.579171 1.032268
H 0.356546 -5.427518 -1.109548
H 2.569248 -4.830841 -0.041794
H 1.283826 -0.513199 -1.540208
H 2.194137 2.358512 1.607770
H 1.947110 1.171542 -3.261211
H 2.854880 4.039483 -0.119470
H 2.736195 3.457073 -2.566210


