%chk=000240083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240083

0 1
S -0.347926 -1.001466 -0.193847
O -0.904890 -0.885577 -1.528545
O -0.597387 -2.195901 0.590657
O -0.305802 2.923066 -0.693421
O -1.299347 3.397168 1.253554
N -1.031817 0.293882 0.731636
C -3.325408 1.366581 0.529032
C -4.228945 0.174240 0.138877
C -1.872838 1.284955 0.037555
C -3.975231 -1.062817 1.006345
C -4.130148 -0.166714 -1.349171
C -1.184991 2.630427 0.331714
C 1.329902 -0.648015 -0.208870
C 2.234547 -1.540413 0.381299
C 1.801514 0.522191 -0.816131
C 4.079470 -0.098848 -0.254005
C 3.601547 -1.271426 0.359373
C 3.168713 0.796620 -0.841481
C 5.543309 0.183247 -0.293873
H -3.782108 2.294175 0.122471
H -3.345963 1.500117 1.630678
H -5.281571 0.511381 0.342599
H -1.858546 1.110448 -1.082590
H -1.376868 0.073417 1.676873
H -3.052233 -1.591950 0.737171
H -3.918934 -0.816108 2.070425
H -4.784033 -1.794102 0.885112
H -4.326432 0.703084 -1.982596
H -3.135632 -0.556981 -1.626105
H -4.850576 -0.944803 -1.624918
H 1.866029 -2.455116 0.862758
H 1.098157 1.233941 -1.270276
H 4.299310 -1.970457 0.816908
H 3.529486 1.705292 -1.319572
H 0.176307 3.779625 -0.554000
H 5.766250 1.259142 -0.320320
H 6.076880 -0.232108 0.572782
H 5.999503 -0.260596 -1.193497


%chk=000240083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240083

0 1
S -0.319788 -0.925196 -0.360344
O -0.853739 -0.607232 -1.870764
O -0.576089 -2.363878 0.367436
O -0.183770 2.840435 -0.472564
O -1.691926 3.603594 1.117508
N -1.087545 0.348212 0.788262
C -3.433729 1.333285 0.649299
C -4.347520 0.142001 0.235157
C -1.982239 1.335529 0.115318
C -4.016316 -1.201146 0.937383
C -4.422283 -0.039075 -1.301068
C -1.321842 2.704517 0.334798
C 1.523122 -0.568685 -0.306390
C 2.304074 -1.327229 0.578554
C 2.044393 0.410469 -1.165788
C 4.278833 -0.100155 -0.247104
C 3.694090 -1.079111 0.599296
C 3.437377 0.636190 -1.123868
C 5.778690 0.131196 -0.240031
H -3.902444 2.267331 0.282150
H -3.410340 1.430448 1.753115
H -5.359960 0.438548 0.583957
H -1.970100 1.129743 -0.976073
H -1.573041 -0.222290 1.505118
H -3.103047 -1.682281 0.542139
H -3.898172 -1.069225 2.031320
H -4.842964 -1.919550 0.783777
H -4.690667 0.908965 -1.805509
H -3.461773 -0.393407 -1.718847
H -5.192237 -0.788175 -1.562521
H 1.842149 -2.092568 1.210235
H 1.388425 0.969569 -1.838998
H 4.331263 -1.655757 1.279303
H 3.876707 1.392836 -1.783988
H 0.266203 3.703314 -0.260599
H 6.029961 1.177061 -0.487797
H 6.221671 -0.106003 0.742591
H 6.277872 -0.512680 -0.989861


