%chk=000235580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235580

0 1
S 2.533803 -2.468040 0.693026
S -4.638349 -0.859439 -0.137656
O 4.103002 -2.250010 1.284149
O -3.995190 -2.090665 -1.099447
O 1.664184 -2.346766 1.831759
O 2.619956 -3.702172 -0.043263
O -5.119486 -1.564664 1.024740
O -5.544047 -0.125927 -0.978117
N 1.177602 2.474285 -0.176504
C 0.308527 2.369126 1.037987
C 1.777495 1.233133 -0.613166
C 2.153314 3.606568 -0.087955
C -0.919841 1.542500 0.728163
C 1.900062 0.096393 0.203074
C 2.187473 1.160479 -1.964693
C -1.712214 1.848871 -0.389675
C -1.285978 0.487150 1.577485
C 2.409351 -1.091320 -0.330345
C 3.225808 3.453629 0.988194
C -3.227134 0.052015 0.194461
C -2.860730 1.103888 -0.655368
C -2.436845 -0.256364 1.307769
C 2.699220 -0.028823 -2.477833
C 2.810464 -1.164587 -1.663734
H -0.021707 3.400541 1.315717
H 0.848961 1.974377 1.928403
H 2.630956 3.715861 -1.088433
H 1.567097 4.538673 0.077154
H 1.589748 0.130720 1.252837
H 2.084249 2.035953 -2.608413
H -1.414239 2.660382 -1.056020
H -0.674677 0.229457 2.443251
H 2.805387 3.452496 1.999717
H 3.793305 2.521154 0.870028
H 3.949443 4.276950 0.942051
H -3.479450 1.347950 -1.527227
H -2.718261 -1.080156 1.975282
H 3.007873 -0.081518 -3.522732
H 3.200418 -2.098474 -2.080485
H 4.573452 -3.051696 1.552354
H -4.417000 -2.958131 -1.017235


%chk=000235580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235580

0 1
S 3.113281 -3.089323 -0.469730
S -5.320866 0.054521 0.096804
O 4.361540 -3.083505 0.910278
O -5.220250 -1.743545 0.545481
O 1.664144 -3.455131 0.152709
O 3.721498 -3.956735 -1.692578
O -6.280884 0.801693 1.164187
O -5.606293 0.175380 -1.491496
N 1.397193 1.837937 0.162678
C 0.587116 1.431229 1.318789
C 2.307322 0.969291 -0.451636
C 1.288077 3.259895 -0.233425
C -0.872302 1.088928 0.997225
C 2.277215 -0.438290 -0.191507
C 3.291969 1.445026 -1.379121
C -1.253097 0.647057 -0.293945
C -1.854583 1.205161 2.013947
C 3.214565 -1.251697 -0.834903
C 2.269744 4.195069 0.510305
C -3.527998 0.442261 0.465619
C -2.595756 0.313145 -0.574657
C -3.202777 0.877319 1.759834
C 4.194232 0.569780 -2.012094
C 4.187557 -0.819907 -1.746549
H 0.601881 2.250392 2.065202
H 1.065423 0.569655 1.820616
H 1.427097 3.343440 -1.326530
H 0.248129 3.579035 -0.033158
H 1.524430 -0.902688 0.452418
H 3.361261 2.512243 -1.604292
H -0.498997 0.568952 -1.083127
H -1.568586 1.555947 3.012683
H 2.110597 4.149904 1.603008
H 3.320584 3.921636 0.311994
H 2.117436 5.241929 0.189900
H -2.909184 -0.022141 -1.568079
H -3.976677 0.975424 2.527301
H 4.928452 0.978586 -2.714166
H 4.878503 -1.517163 -2.226096
H 4.503676 -4.036334 1.184579
H -6.118673 -2.150576 0.370832


