%chk=000240821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240821

0 1
S -3.308965 -0.055534 0.603993
O -3.934263 -1.362653 0.515505
O -3.579355 0.787227 1.753409
O 4.736106 -0.252200 -0.282064
O 3.422802 1.339493 0.708463
N -3.816838 0.835559 -0.798624
N 2.529617 -0.618191 -0.269739
C -4.889887 1.864932 -0.698030
C -5.138221 0.567272 -1.433372
C -1.614651 -0.202167 0.362202
C -1.098715 -1.321861 -0.302877
C -0.747508 0.792922 0.831730
C 0.271451 -1.454218 -0.507350
C 0.626933 0.683787 0.638537
C 1.138205 -0.441442 -0.034940
C 3.534657 0.285287 0.125380
C 5.933301 0.553278 0.041982
C 7.068016 -0.283175 -0.502015
H -4.706514 2.792021 -1.252460
H -5.370825 2.066564 0.266494
H -5.804584 -0.197284 -1.017398
H -5.137308 0.540077 -2.528714
H -1.777069 -2.107729 -0.659031
H -1.148906 1.663997 1.365200
H 0.659633 -2.328928 -1.023390
H 1.299504 1.466286 1.008980
H 2.831091 -1.467648 -0.761643
H 5.819111 1.531121 -0.457051
H 5.959349 0.683965 1.137759
H 8.036395 0.203642 -0.328348
H 7.101384 -1.275812 -0.030646
H 6.965052 -0.451091 -1.583542


%chk=000240821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240821

0 1
S -3.413651 -0.068984 0.557901
O -4.060724 -1.567113 0.501916
O -3.706232 0.919149 1.827879
O 4.815188 -0.304490 -0.272476
O 3.510974 1.359874 0.765477
N -3.947162 0.872817 -1.101801
N 2.577311 -0.576772 -0.245432
C -5.033102 1.903549 -0.766249
C -5.428150 0.585340 -1.389473
C -1.567685 -0.197268 0.306932
C -1.066199 -1.326149 -0.362087
C -0.747721 0.822538 0.814783
C 0.326136 -1.425928 -0.530723
C 0.647117 0.719831 0.644332
C 1.188881 -0.406308 -0.036508
C 3.608050 0.272088 0.147820
C 6.046572 0.468380 0.071418
C 7.225652 -0.309793 -0.501751
H -4.960279 2.811902 -1.371875
H -5.245469 2.060997 0.299430
H -5.923378 -0.166292 -0.762683
H -5.645853 0.513659 -2.459465
H -1.742729 -2.108905 -0.718259
H -1.187065 1.669344 1.351474
H 0.746369 -2.297979 -1.045531
H 1.315768 1.491985 1.028958
H 2.882808 -1.418006 -0.740053
H 5.954694 1.480101 -0.362807
H 6.098202 0.566101 1.170794
H 8.167323 0.220084 -0.270167
H 7.281460 -1.321714 -0.065559
H 7.141892 -0.404544 -1.597818


