%chk=000240984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240984

0 1
S 0.373346 -0.091472 -2.053172
O -0.037032 -2.606748 0.240397
O -5.010843 -0.979797 -0.678514
O 5.589483 0.164361 -0.792562
C -0.632093 0.938026 0.306778
C -2.048481 0.884116 -0.274396
C 0.204061 -0.251329 -0.234171
C -2.746166 -0.450451 0.124174
C 1.608486 -0.291028 0.444154
C 0.062631 2.272806 0.004093
C -2.018298 -1.592335 -0.580457
C -3.068024 1.971797 0.118288
C -0.560677 -1.591625 -0.153702
C 2.289424 1.067875 0.255014
C 1.482938 2.298156 0.573288
C -4.200219 -0.168954 -0.319509
C -4.433691 1.333809 -0.209862
C 2.473439 -1.441864 -0.137824
C -2.817829 -0.717589 1.633970
C 1.447081 -0.526758 1.960043
C 3.960224 -1.295695 0.173552
C 3.576818 1.189433 -0.102290
C 4.486603 0.038717 -0.306050
H -0.693495 0.829219 1.423396
H -1.968801 0.919249 -1.395450
H -0.524321 3.105762 0.439982
H 0.079948 2.474686 -1.085432
H -2.104198 -1.517979 -1.684932
H -2.481882 -2.574272 -0.337245
H -2.908795 2.904045 -0.447188
H -2.995455 2.236339 1.186426
H 1.447598 2.404956 1.681005
H 2.001769 3.213530 0.216408
H -4.853673 1.721689 -1.156554
H -5.195674 1.551844 0.559014
H 2.348021 -1.541122 -1.233179
H 2.103339 -2.413714 0.264535
H -3.256640 0.122131 2.184356
H -3.430141 -1.606346 1.843892
H -1.828834 -0.909531 2.066410
H 0.792687 0.212464 2.433777
H 1.024612 -1.523758 2.154904
H 2.416724 -0.485967 2.470333
H 1.556758 0.561522 -2.140568
H 4.535155 -2.122448 -0.294021
H 4.154208 -1.389728 1.261788
H 4.054608 2.160378 -0.248099


%chk=000240984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240984

0 1
S 0.348735 -0.110068 -2.128324
O -0.130788 -2.630415 0.514129
O -5.056849 -0.992446 -0.804413
O 5.683450 0.211710 -0.918230
C -0.648471 0.949364 0.360489
C -2.078797 0.896186 -0.205874
C 0.199111 -0.271025 -0.171473
C -2.799359 -0.444587 0.113617
C 1.652817 -0.313789 0.477363
C 0.058373 2.286018 0.055236
C -2.042034 -1.603939 -0.577207
C -3.113327 1.983123 0.191515
C -0.603855 -1.607102 -0.045275
C 2.313220 1.059576 0.228730
C 1.510844 2.299959 0.588563
C -4.224690 -0.148472 -0.401172
C -4.450971 1.378748 -0.327271
C 2.517250 -1.475837 -0.118139
C -2.955561 -0.742722 1.638043
C 1.544788 -0.528696 2.027777
C 4.034558 -1.295812 0.101077
C 3.599786 1.185059 -0.231770
C 4.529846 0.048136 -0.416820
H -0.704100 0.838721 1.463558
H -1.979845 0.945612 -1.313207
H -0.507638 3.114822 0.520360
H 0.050560 2.457185 -1.038114
H -2.048574 -1.449764 -1.673816
H -2.493895 -2.586816 -0.363795
H -2.896976 2.961821 -0.269077
H -3.141059 2.131414 1.287646
H 1.473004 2.372032 1.696625
H 2.041692 3.203420 0.237626
H -4.688678 1.734157 -1.348723
H -5.332865 1.608033 0.297155
H 2.325566 -1.560507 -1.203151
H 2.182238 -2.423810 0.330735
H -3.450517 0.084099 2.177259
H -3.568954 -1.651421 1.771095
H -1.978804 -0.927756 2.119011
H 1.028197 0.296621 2.546339
H 1.016489 -1.471770 2.239918
H 2.559798 -0.598776 2.457641
H 1.570237 0.549572 -2.090977
H 4.602308 -2.103453 -0.393239
H 4.284989 -1.349414 1.181100
H 4.023452 2.179408 -0.427741


