%chk=000257068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257068

0 1
S 1.292233 -0.333924 0.991203
O 0.254689 -0.200278 -2.051823
O 1.771560 2.888758 0.838038
N -0.001847 -2.402165 -1.714460
N 0.980172 2.519397 -1.255033
C -0.311771 -0.804051 0.221687
C -1.306081 0.356614 0.311641
C -0.740737 -2.036276 1.035472
C -2.703695 -0.010144 -0.209238
C 2.243620 0.719156 -0.149685
C 0.000112 -1.094053 -1.248159
C -3.654798 1.192665 -0.128416
C -1.052753 -1.740493 2.500134
C 3.672858 0.730451 0.399232
C -5.051777 0.839679 -0.633127
C 1.646437 2.117762 -0.097486
C 4.420526 -0.569194 0.126598
H -1.374755 0.708067 1.363426
H -0.927021 1.227588 -0.261761
H 0.045620 -2.820516 0.993378
H -1.646267 -2.476202 0.562294
H -3.122467 -0.854041 0.371720
H -2.637394 -0.361627 -1.257675
H 2.231072 0.299929 -1.187530
H -3.246738 2.036532 -0.719374
H -3.715166 1.557798 0.915874
H -1.852536 -0.996811 2.608841
H -0.180627 -1.354766 3.045874
H -1.378613 -2.649654 3.019570
H 3.670347 0.959806 1.488359
H 4.222131 1.581777 -0.061702
H -5.504863 0.034652 -0.043834
H -5.722580 1.704722 -0.574811
H -5.033055 0.511388 -1.678753
H -0.089984 -3.209539 -1.125313
H 0.252306 -2.577334 -2.677122
H 4.480403 -0.789755 -0.945263
H 5.447618 -0.514806 0.507730
H 3.940516 -1.428198 0.612569
H 0.703605 1.854714 -1.973566
H 0.514401 3.413574 -1.271410


%chk=000257068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257068

0 1
S 1.303200 -0.187405 1.134723
O 0.001368 -0.078605 -2.095432
O 2.342346 3.177563 0.500858
N 0.341357 -2.296295 -1.605700
N 0.916738 2.499154 -1.214936
C -0.353556 -0.767512 0.252150
C -1.412160 0.355043 0.377410
C -0.749339 -2.068328 1.014261
C -2.799445 0.003864 -0.214353
C 2.341843 0.799651 -0.156010
C -0.001770 -1.017780 -1.229012
C -3.790494 1.184178 -0.084326
C -1.178328 -1.861141 2.483545
C 3.815674 0.713271 0.297882
C -5.184970 0.864459 -0.663799
C 1.866752 2.265285 -0.240842
C 4.433521 -0.690575 0.143519
H -1.512636 0.611360 1.448030
H -1.027356 1.262102 -0.119350
H 0.112418 -2.766134 1.013390
H -1.576565 -2.557649 0.460899
H -3.229751 -0.881898 0.296759
H -2.693632 -0.261122 -1.285455
H 2.208867 0.292612 -1.127180
H -3.367815 2.069317 -0.601163
H -3.886496 1.465365 0.984225
H -2.110777 -1.275700 2.560104
H -0.397004 -1.336795 3.061426
H -1.357035 -2.839640 2.964811
H 3.897688 1.075953 1.338680
H 4.382155 1.443703 -0.312369
H -5.645905 0.004144 -0.142231
H -5.871074 1.725465 -0.564140
H -5.118292 0.608326 -1.738079
H 0.369049 -3.071264 -0.947131
H 0.606985 -2.452947 -2.578097
H 4.413983 -1.021236 -0.912641
H 5.487383 -0.687819 0.476068
H 3.884742 -1.437081 0.744472
H 0.505995 1.716363 -1.747144
H 0.567036 3.450949 -1.325724


