%chk=000295494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295494

0 1
S -3.946431 0.969123 -0.703022
S 1.964755 -0.054703 -2.955394
O -1.582931 -2.456435 1.984276
O 2.874519 1.005103 1.311238
O -2.688385 2.995477 -0.954735
O 0.876215 2.013550 -3.072181
O -0.464939 -0.494498 1.891166
O 3.241953 -1.176932 1.758376
N -1.492706 1.548225 0.315478
N 1.628383 1.738622 -0.955135
C -3.780492 -1.369036 0.416314
C 3.109816 -1.655383 -1.262198
C -2.549685 -0.671715 0.759022
C 2.744751 -0.462377 -0.502854
C -2.508964 0.599019 0.214056
C 2.132459 0.482859 -1.297933
C -0.489621 3.749467 -0.232813
C 0.319626 3.790773 -1.526777
C -4.621968 -0.617546 -0.354891
C 2.761109 -1.575653 -2.580340
C -1.650680 2.784288 -0.349887
C 0.931779 2.473237 -1.941809
C -4.041173 -2.750897 0.886718
C 3.805402 -2.807599 -0.637648
C -5.944763 -0.952066 -0.906930
C 2.942837 -2.557189 -3.662039
C -1.444304 -1.161542 1.571209
C 2.979053 -0.335304 0.928537
C -0.502682 -3.032068 2.797882
C 2.973467 1.318263 2.735545
C 0.696632 -3.349839 1.934496
C 1.574848 1.419724 3.304174
H -0.911506 4.764741 -0.034418
H 0.154153 3.532741 0.643381
H -0.335661 4.135956 -2.367681
H 1.120397 4.560226 -1.452908
H -0.645223 1.276104 0.851741
H 1.787211 2.071140 0.008748
H -3.213658 -3.423984 0.602350
H -4.971066 -3.170939 0.487143
H -4.093580 -2.787771 1.986680
H 4.897234 -2.679006 -0.684498
H 3.559999 -3.757028 -1.130041
H 3.547964 -2.915372 0.431916
H -5.873972 -1.770360 -1.642568
H -6.428336 -0.106774 -1.418093
H -6.637707 -1.281724 -0.115802
H 2.864136 -2.112490 -4.665073
H 3.932611 -3.038358 -3.607445
H 2.186948 -3.357755 -3.604067
H -0.266879 -2.324475 3.611706
H -1.013606 -3.930942 3.188349
H 3.578861 0.537684 3.235729
H 3.517335 2.278246 2.720503
H 0.404242 -3.811664 0.983647
H 1.271273 -2.438113 1.688287
H 1.390761 -4.029606 2.442100
H 1.018975 2.272078 2.906024
H 0.985513 0.512174 3.063315
H 1.589899 1.505823 4.396776


%chk=000295494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295494

0 1
S -4.337669 1.093171 -0.600867
S 2.049497 -0.352368 -3.035730
O -1.603235 -2.426744 1.790384
O 2.758788 1.201796 1.249985
O -2.673532 3.393166 -0.839953
O 0.691588 2.097970 -3.175271
O -0.495215 -0.398744 1.533018
O 3.632187 -0.906390 1.770156
N -1.716823 1.579732 0.269903
N 1.660248 1.632995 -1.110546
C -4.011864 -1.350917 0.458096
C 3.344013 -1.704495 -1.121033
C -2.759835 -0.629226 0.691144
C 2.895151 -0.450437 -0.506781
C -2.781721 0.690621 0.182629
C 2.197403 0.383255 -1.406334
C -0.363550 3.620951 -0.040578
C 0.424057 3.759088 -1.377364
C -4.952761 -0.583675 -0.208272
C 2.983081 -1.810828 -2.453075
C -1.684018 2.876711 -0.239401
C 0.916915 2.440033 -1.977027
C -4.283847 -2.777882 0.881475
C 4.134107 -2.770134 -0.393562
C -6.348606 -0.944262 -0.646971
C 3.228725 -2.925531 -3.436018
C -1.545169 -1.111536 1.353669
C 3.137565 -0.139352 0.906916
C -0.356929 -2.985636 2.409575
C 2.938824 1.606188 2.678042
C 0.579869 -3.535320 1.331766
C 1.583612 1.675931 3.386142
H -0.612910 4.637529 0.312312
H 0.252047 3.139479 0.741877
H -0.223996 4.229606 -2.134328
H 1.291690 4.428005 -1.212624
H -0.898468 1.151413 0.757581
H 1.875847 1.930839 -0.142521
H -3.575081 -3.476894 0.403846
H -5.308525 -3.080625 0.608484
H -4.158514 -2.903387 1.971013
H 5.070483 -2.359543 0.023976
H 4.385290 -3.604333 -1.069721
H 3.569287 -3.171108 0.465550
H -6.338816 -1.708591 -1.447387
H -6.889952 -0.065927 -1.038690
H -6.942877 -1.348154 0.193594
H 3.143395 -2.572085 -4.478576
H 4.242789 -3.346689 -3.314321
H 2.504933 -3.753909 -3.308444
H 0.132091 -2.191646 2.999297
H -0.738810 -3.777534 3.073626
H 3.605398 0.865694 3.151093
H 3.440926 2.587617 2.632987
H 0.069341 -4.295262 0.715207
H 0.944480 -2.726181 0.677532
H 1.456014 -4.008046 1.813140
H 0.935170 2.458197 2.951604
H 1.054607 0.711552 3.313469
H 1.737502 1.919347 4.454005


