%chk=000237356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237356

0 1
S -5.980817 1.746863 -0.358615
O -4.437143 -0.265165 0.357316
C 1.735989 -0.558788 -0.228284
C 2.935703 0.297035 0.200216
C 0.411237 0.064544 0.231450
C 4.261407 -0.324798 -0.259244
C -0.789350 -0.791051 -0.195487
C 5.460491 0.531435 0.169368
C -2.107758 -0.163211 0.266009
C 6.787674 -0.089282 -0.289149
C -3.305998 -1.012985 -0.158167
C 7.984568 0.759229 0.134731
C -5.720047 -0.858183 0.050500
C -6.700349 0.249404 0.401551
H 1.835841 -1.580360 0.186322
H 1.733934 -0.678651 -1.328863
H 2.938216 0.417693 1.300743
H 2.836078 1.318981 -0.213971
H 0.311128 1.086379 -0.183694
H 0.413767 0.187060 1.331954
H 4.259110 -0.444804 -1.359770
H 4.361342 -1.346450 0.155158
H -0.689129 -1.812071 0.221134
H -0.791724 -0.909872 -1.296592
H 5.362119 1.553397 -0.244444
H 5.464019 0.652967 1.269586
H -2.121020 -0.032994 1.366819
H -2.224540 0.861025 -0.144656
H 6.786241 -0.209327 -1.390204
H 6.888440 -1.111068 0.126178
H -3.299002 -2.016044 0.299423
H -3.396208 -1.098045 -1.254393
H 8.037414 0.866735 1.224078
H 7.935263 1.767755 -0.291309
H 8.926701 0.308736 -0.196675
H -5.855131 -1.756171 0.680351
H -5.763870 -1.141698 -1.016908
H -7.711654 0.035612 0.021157
H -6.769227 0.393685 1.496634
H -7.114215 2.468582 -0.473552


%chk=000237356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237356

0 1
S -6.815894 1.769776 -0.599336
O -4.528160 -0.115188 0.375998
C 1.788905 -0.517976 -0.197676
C 3.038093 0.281522 0.236514
C 0.463381 0.108027 0.290224
C 4.364720 -0.334606 -0.261884
C -0.786588 -0.689355 -0.145524
C 5.613277 0.467245 0.169964
C -2.106250 -0.041805 0.331901
C 6.940045 -0.143998 -0.335495
C -3.340572 -0.836707 -0.102158
C 8.181352 0.664926 0.099472
C -5.780325 -0.776177 0.009742
C -6.923275 0.152100 0.404593
H 1.867945 -1.557301 0.185140
H 1.771266 -0.595726 -1.305132
H 3.060681 0.353240 1.344209
H 2.954339 1.322822 -0.139539
H 0.385274 1.146520 -0.093703
H 0.479753 0.186991 1.397245
H 4.341290 -0.406399 -1.369678
H 4.450195 -1.375821 0.114431
H -0.713611 -1.725072 0.248341
H -0.794767 -0.776167 -1.252381
H 5.526687 1.509803 -0.202245
H 5.641469 0.535422 1.277852
H -2.109502 0.046168 1.435588
H -2.192600 0.985841 -0.070483
H 6.910629 -0.212218 -1.442328
H 7.026579 -1.185313 0.037148
H -3.320937 -1.864494 0.328612
H -3.379568 -0.929317 -1.211488
H 8.251611 0.719836 1.202418
H 8.132457 1.701711 -0.284133
H 9.116041 0.209150 -0.276291
H -5.877446 -1.742931 0.557185
H -5.808381 -0.985080 -1.082300
H -7.891199 -0.328476 0.187942
H -6.861088 0.403592 1.475047
H -8.186329 1.941532 -0.731091


