%chk=000229975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229975

0 1
S -4.408615 3.533978 -0.257628
O -1.548963 3.435341 0.338740
O -4.812310 0.433714 0.697110
O 6.145540 0.123182 1.236841
O 0.699312 -5.909919 -0.679010
N -0.831486 2.076777 -1.396090
N -2.579448 0.811025 1.218742
N 0.371406 1.834832 -0.777460
N -2.192469 -0.450425 0.838177
C -3.142771 2.888321 -1.401717
C -4.142843 2.678917 1.335175
C -3.163755 3.827677 -2.591834
C -5.404306 2.911415 2.141219
C -1.785893 2.879351 -0.709275
C -3.944964 1.192917 1.049332
C 2.534533 0.813134 -0.697053
C -0.491797 -2.112211 0.517844
C 1.252847 1.076412 -1.373002
C -0.929399 -0.771774 0.940982
C 3.321542 -0.265611 -1.129672
C 0.883449 -2.375525 0.422708
C 2.987410 1.623076 0.368382
C -1.419037 -3.132588 0.209294
C 4.972628 0.267510 0.535653
C 0.407663 -4.626591 -0.273825
C 4.544764 -0.550831 -0.518133
C 1.347378 -3.632616 0.024912
C 4.199336 1.358834 0.988735
C -0.980664 -4.387881 -0.187028
C 7.037983 -0.953069 0.858409
C 2.092098 -6.293292 -0.768952
H -3.440835 1.851016 -1.705131
H -3.259793 3.150139 1.842154
H -2.882880 4.856896 -2.315300
H -2.473387 3.504970 -3.381885
H -4.165096 3.882594 -3.048287
H -6.281678 2.423224 1.683159
H -5.307256 2.497643 3.155527
H -5.636924 3.980084 2.249913
H -1.065969 1.643004 -2.296438
H -1.888230 1.494484 1.577023
H 1.130460 0.591273 -2.353450
H -0.127937 -0.112608 1.315617
H 2.979559 -0.898006 -1.950268
H 1.608611 -1.592928 0.657797
H 2.373418 2.465581 0.703220
H -2.491845 -2.925495 0.285523
H 5.140916 -1.387288 -0.865160
H 2.412956 -3.818663 -0.039436
H 4.567316 1.971284 1.809995
H -1.678370 -5.187493 -0.426903
H 7.866157 -0.814513 1.566730
H 6.551967 -1.920759 1.009599
H 7.378882 -0.820291 -0.172216
H 2.015381 -7.341497 -1.087366
H 2.603939 -5.691042 -1.524280
H 2.571969 -6.216785 0.210888


%chk=000229975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229975

0 1
S -4.592597 3.748910 -0.306343
O -1.604046 3.521224 0.733951
O -5.008310 0.337522 -0.040102
O 6.171135 -0.474544 0.894951
O 1.185501 -5.895310 -0.364485
N -0.857863 2.317958 -1.132372
N -2.899162 0.653223 0.956261
N 0.343672 1.957944 -0.537715
N -2.413117 -0.593585 0.590385
C -3.014913 3.439050 -1.313884
C -4.529539 2.465867 1.117652
C -2.776778 4.723547 -2.146288
C -5.922625 2.497675 1.769800
C -1.784614 3.119086 -0.447839
C -4.199858 1.053601 0.605152
C 2.454257 0.777743 -0.706649
C -0.548003 -2.143413 0.578031
C 1.165846 1.211394 -1.248549
C -1.157787 -0.852618 0.905210
C 3.294697 -0.062443 -1.482049
C 0.818635 -2.371667 0.886245
C 2.897285 1.175166 0.592445
C -1.291397 -3.191239 -0.047377
C 4.961421 -0.103281 0.298956
C 0.684860 -4.630703 -0.025626
C 4.541593 -0.505984 -0.994097
C 1.441092 -3.603238 0.591325
C 4.131230 0.739871 1.089818
C -0.684490 -4.417106 -0.345765
C 7.088695 -1.312804 0.116668
C 2.581701 -6.185459 -0.030033
H -3.228057 2.586363 -1.986569
H -3.750716 2.838136 1.804118
H -2.547862 5.572926 -1.480919
H -1.933024 4.586916 -2.847773
H -3.677216 4.972157 -2.735213
H -6.673423 2.082384 1.077583
H -5.921035 1.883114 2.688573
H -6.206899 3.528710 2.044482
H -1.099475 1.971119 -2.074061
H -2.289649 1.332303 1.443039
H 0.918436 0.872469 -2.275907
H -0.512613 -0.113431 1.421807
H 2.968022 -0.380791 -2.479766
H 1.407694 -1.575367 1.358070
H 2.256339 1.834682 1.186221
H -2.345703 -3.014894 -0.282757
H 5.166667 -1.151159 -1.618166
H 2.495967 -3.746125 0.842966
H 4.486809 1.039461 2.080349
H -1.241862 -5.230804 -0.819780
H 7.961383 -1.462703 0.768402
H 6.631015 -2.291483 -0.125970
H 7.400791 -0.805416 -0.816292
H 2.749061 -7.218733 -0.367345
H 3.272966 -5.502224 -0.561347
H 2.756361 -6.115092 1.061175


