%chk=000211734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211734

0 1
S 3.701958 -1.216274 -0.972961
S 1.707486 -3.422440 -0.739205
O 2.161068 0.757295 1.964797
O -2.168872 2.361240 0.800737
O -3.966851 0.901621 -0.876491
N 1.814580 -1.205949 0.795539
C 3.676674 0.243125 0.123137
C 2.506384 0.033814 1.065336
C 0.569595 -1.530322 1.556894
C 3.520270 1.524533 -0.691451
C -0.635347 -0.916007 0.889581
C 2.280180 -1.995461 -0.240261
C 4.775215 1.854704 -1.490194
C -0.919099 0.442626 1.102435
C -1.464044 -1.686454 0.072025
C -2.037630 1.025276 0.498982
C -2.590173 -1.114021 -0.535158
C -2.884452 0.233381 -0.329231
C -3.314205 3.072913 0.269238
C -4.854841 0.141569 -1.731872
H 4.627496 0.267931 0.715244
H 0.689820 -1.133071 2.595812
H 0.470705 -2.638660 1.645426
H 3.285982 2.364568 0.002927
H 2.644624 1.452075 -1.371921
H 5.658610 1.958944 -0.849112
H 5.000862 1.088863 -2.243477
H 4.654294 2.803794 -2.029292
H -0.272861 1.059446 1.733789
H -1.238595 -2.738253 -0.107584
H -3.220903 -1.733903 -1.167145
H -4.241972 2.620041 0.633963
H -3.280561 3.073319 -0.825386
H -3.164309 4.077392 0.680725
H -5.323858 -0.670449 -1.168846
H -4.315831 -0.227322 -2.609350
H -5.593698 0.901916 -2.015049


%chk=000211734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211734

0 1
S 3.871261 -1.363824 -0.920261
S 1.657953 -3.492843 -0.651326
O 2.223762 0.884092 1.920188
O -2.231855 2.526463 0.319767
O -4.046896 0.897557 -1.143925
N 1.825803 -1.129188 0.766076
C 3.797047 0.207017 0.155971
C 2.561422 0.047314 1.044788
C 0.548310 -1.385159 1.504864
C 3.735524 1.503844 -0.683866
C -0.675059 -0.811001 0.803769
C 2.325435 -2.015279 -0.196046
C 5.017288 1.747290 -1.503761
C -0.962767 0.575311 0.885616
C -1.557887 -1.648923 0.085653
C -2.090221 1.130197 0.248924
C -2.694767 -1.110334 -0.556645
C -2.965641 0.276669 -0.495934
C -3.536210 3.069984 0.752414
C -4.911564 0.055479 -1.975859
H 4.697692 0.207210 0.795237
H 0.688336 -0.920937 2.496683
H 0.464973 -2.479393 1.611604
H 3.570190 2.338261 0.025151
H 2.853638 1.463465 -1.350078
H 5.906138 1.813475 -0.848764
H 5.189287 0.935951 -2.234996
H 4.940845 2.694411 -2.066210
H -0.309659 1.252004 1.446671
H -1.349553 -2.721288 0.011898
H -3.356657 -1.777436 -1.116750
H -3.794342 2.693058 1.761249
H -4.332092 2.808793 0.036478
H -3.387542 4.159936 0.789179
H -5.425407 -0.717099 -1.371682
H -4.335819 -0.428057 -2.788077
H -5.653269 0.744779 -2.405397


