%chk=000256021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256021

0 1
S -0.930151 1.285207 0.023526
S 3.611553 -1.095464 -0.721784
O -0.288782 -3.509407 -0.756717
O -0.790729 -0.301418 -0.597860
O -2.819852 -1.648362 -0.041518
O -0.918110 -4.261317 1.353698
O 2.561948 -1.604428 0.524396
O 0.225355 1.995864 -0.470766
O -1.099866 1.117886 1.444003
O 2.769315 -0.979942 -1.888677
O 4.696375 -2.045783 -0.725418
C -0.402034 -1.343889 0.295329
C 0.494510 -2.311464 -0.514670
C -1.687299 -2.151101 0.651064
C -1.372946 -3.595067 0.177193
C 1.744316 -2.745490 0.269559
C -2.355380 1.780143 -0.767978
C -0.532306 -5.637820 1.151730
C 4.091753 0.412008 -0.091664
C -3.590914 1.229807 -0.396394
C -2.297616 2.734758 -1.793473
C -4.759406 1.639298 -1.035372
C -3.463378 3.147154 -2.434143
C 5.329065 0.529282 0.560752
C 3.260020 1.533502 -0.213751
C -4.705987 2.603773 -2.057675
C 5.735221 1.753942 1.082073
C 3.663516 2.762373 0.309692
C 4.901256 2.882807 0.961084
C -5.954552 3.031984 -2.749835
C 5.323580 4.192360 1.536933
H 0.110041 -0.937448 1.196488
H 0.735902 -1.915026 -1.533224
H -1.970141 -2.100641 1.724468
H -2.171490 -4.145110 -0.345384
H 2.303973 -3.533632 -0.267132
H 1.483524 -3.124389 1.280668
H -2.568195 -1.430229 -0.981097
H -1.414980 -6.241456 0.923823
H -0.104648 -5.913118 2.122712
H 0.216374 -5.706341 0.354819
H -3.640778 0.463830 0.392678
H -1.330964 3.158666 -2.093072
H -5.715401 1.206921 -0.742083
H -3.411798 3.888618 -3.229935
H 5.981280 -0.347345 0.656480
H 2.281455 1.461561 -0.719334
H 6.695491 1.838145 1.586619
H 3.001657 3.623351 0.215692
H -6.828380 3.028518 -2.082139
H -6.189071 2.351611 -3.584939
H -5.881037 4.043359 -3.173977
H 4.944955 5.046488 0.957704
H 6.415508 4.299664 1.591648
H 4.936847 4.305506 2.562684


%chk=000256021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256021

0 1
S -0.938479 1.363309 -0.135148
S 3.788383 -1.149241 -0.819142
O -0.351243 -3.651399 -0.816558
O -0.782228 -0.398604 -0.872807
O -2.871782 -1.764598 -0.050195
O -0.793741 -4.290557 1.486899
O 2.560589 -1.640772 0.532788
O 0.264147 2.257102 -0.749499
O -1.076871 1.180897 1.470178
O 2.954787 -0.943329 -2.195312
O 5.027510 -2.192358 -0.789502
C -0.387291 -1.414140 0.117251
C 0.501799 -2.450492 -0.619219
C -1.653431 -2.210404 0.618781
C -1.331319 -3.682574 0.279461
C 1.756594 -2.833555 0.201598
C -2.552518 1.876374 -0.929735
C -0.520809 -5.729209 1.335003
C 4.283399 0.479157 -0.046640
C -3.749461 1.359605 -0.403930
C -2.487654 2.771740 -2.009087
C -4.952317 1.785346 -1.006828
C -3.709443 3.177091 -2.588693
C 5.530701 0.538344 0.594915
C 3.396198 1.562718 -0.146815
C -4.952448 2.690413 -2.103053
C 5.909456 1.773533 1.163767
C 3.802358 2.781396 0.438791
C 5.053115 2.905118 1.101479
C -6.255546 3.108929 -2.756301
C 5.454107 4.215697 1.752173
H 0.152052 -0.940848 0.956489
H 0.788621 -2.087247 -1.618491
H -1.817586 -2.089644 1.699141
H -2.202185 -4.245129 -0.104548
H 2.359777 -3.583243 -0.345505
H 1.468432 -3.251324 1.183226
H -2.595784 -1.331161 -0.904557
H -1.452284 -6.279741 1.092370
H -0.132532 -6.066772 2.307825
H 0.227702 -5.909931 0.541387
H -3.747878 0.653532 0.432137
H -1.523500 3.142086 -2.370780
H -5.903348 1.402261 -0.620678
H -3.694157 3.879464 -3.429388
H 6.180088 -0.341810 0.635726
H 2.427407 1.486385 -0.651333
H 6.880304 1.856137 1.665231
H 3.126198 3.641517 0.381468
H -7.076904 3.169660 -2.021563
H -6.559335 2.373796 -3.526482
H -6.164972 4.088962 -3.254810
H 5.066332 5.082739 1.189831
H 6.550569 4.315126 1.827240
H 5.045024 4.282348 2.778949


