%chk=000240528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240528

0 1
S -3.169444 -1.812566 0.455974
O -3.051415 -3.459980 0.830950
O -3.275790 -1.745896 -0.976890
O -4.231096 -1.326012 1.288968
N 0.638299 -0.501203 0.418169
C -0.792003 -0.564874 -0.037260
C -1.589840 -1.352599 1.023891
C -1.359678 0.839515 -0.177647
C 1.523924 0.154014 -0.598818
C 2.967769 -0.181615 -0.318254
C -2.216465 1.125448 -1.250786
C -1.048887 1.842089 0.751412
C -2.750862 2.408266 -1.395000
C -1.584274 3.124407 0.602147
C 3.527684 0.115085 0.933804
C 3.759149 -0.777501 -1.310447
C -2.434388 3.409660 -0.471014
C 4.868303 -0.182629 1.188865
C 5.101620 -1.069864 -1.051301
C 5.657857 -0.774208 0.196868
H -0.879584 -1.098784 -1.028404
H -1.013983 -2.249357 1.355125
H -1.640437 -0.743740 1.959451
H 0.984214 -1.450100 0.610140
H 1.370927 1.258168 -0.510723
H 1.249356 -0.107823 -1.645332
H -2.485548 0.341351 -1.965399
H -0.379833 1.618217 1.584287
H -3.419217 2.625114 -2.227185
H -1.340025 3.901320 1.324567
H 2.908477 0.574089 1.705062
H 3.335039 -1.011847 -2.284792
H -2.852434 4.408251 -0.585157
H -3.864002 -3.979674 0.795331
H 5.299700 0.048193 2.161556
H 5.714507 -1.529620 -1.824899
H 6.702782 -1.002994 0.396341


%chk=000240528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240528

0 1
S -3.367920 -1.784201 0.512700
O -3.381805 -3.386475 1.482580
O -3.505756 -2.115166 -1.066681
O -4.400148 -0.748685 1.199695
N 0.616930 -0.771746 0.135854
C -0.832716 -0.685497 -0.179179
C -1.527383 -1.439763 0.974740
C -1.311826 0.767795 -0.259763
C 1.521804 -0.115662 -0.843611
C 2.979903 -0.252464 -0.425090
C -2.208455 1.167654 -1.278778
C -0.896385 1.712142 0.712969
C -2.688451 2.496915 -1.323840
C -1.371491 3.039332 0.665211
C 3.366816 -0.060185 0.926571
C 3.977769 -0.546538 -1.387187
C -2.271528 3.435093 -0.353264
C 4.724077 -0.155386 1.304564
C 5.338102 -0.636237 -1.012011
C 5.715603 -0.441316 0.336238
H -1.094172 -1.192762 -1.138770
H -1.135862 -2.456515 1.141129
H -1.592161 -0.865457 1.910270
H 0.911382 -1.743860 0.306915
H 1.239576 0.953433 -0.890410
H 1.390689 -0.520976 -1.875254
H -2.540710 0.438293 -2.027050
H -0.185808 1.399602 1.487553
H -3.388148 2.796260 -2.111764
H -1.043771 3.764997 1.418091
H 2.593346 0.155435 1.671601
H 3.690366 -0.705535 -2.434134
H -2.644056 4.464960 -0.388196
H -4.325354 -3.715360 1.517777
H 5.010484 -0.004760 2.351793
H 6.098692 -0.862922 -1.767648
H 6.768767 -0.514143 0.629980


