%chk=000243379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243379

0 1
S -2.189362 -0.376310 -1.607486
O -1.740669 0.588370 -2.589634
O -3.156333 -1.371927 -2.018106
O 0.319076 -1.219006 1.399019
N -0.809874 -1.344408 -1.100384
N 0.303137 -0.533401 -0.822064
C -2.689949 0.434651 -0.174341
C -0.533383 -2.598064 -1.863425
C -3.293270 1.694717 -0.296179
C -2.525570 -0.144178 1.087398
C 0.871559 -0.645814 0.484603
C 2.162754 0.104753 0.613991
C 0.245358 -3.565643 -1.014911
C -3.746033 2.365523 0.840450
C -2.978483 0.530601 2.227886
C -3.590782 1.779636 2.104154
C 2.268516 1.441489 0.208583
C 3.259975 -0.552909 1.187236
C 3.481959 2.116972 0.367143
C 4.471333 0.127011 1.338233
C 4.582486 1.460020 0.927812
C 1.012009 -4.523439 -1.529575
H -1.530451 -3.059007 -2.110864
H -0.025490 -2.402272 -2.834488
H 0.940964 -0.349825 -1.612352
H -3.403967 2.160838 -1.281090
H -2.020336 -1.115059 1.202477
H 0.114843 -3.432642 0.065552
H -4.217768 3.342191 0.746205
H -2.844497 0.077886 3.210090
H -3.946264 2.303682 2.992268
H 1.407608 1.956654 -0.221233
H 3.162204 -1.587555 1.520595
H 3.568421 3.157027 0.054787
H 5.327373 -0.380806 1.780905
H 5.527826 1.988869 1.048550
H 1.549689 -5.236469 -0.920397
H 1.159291 -4.682457 -2.587611


%chk=000243379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243379

0 1
S -1.681735 -0.031650 -1.043809
O -0.512715 1.126192 -1.174874
O -2.575077 -0.423819 -2.370421
O 0.769804 -0.179914 1.802326
N -0.371941 -1.701213 -0.255159
N 0.861265 -1.126398 -0.345017
C -2.892644 0.433606 0.330756
C -0.568028 -2.770989 -1.299076
C -2.397399 0.623317 1.631245
C -4.244804 0.561809 -0.030185
C 1.339984 -0.257430 0.681474
C 2.585248 0.483312 0.312016
C 0.084727 -4.055839 -0.829397
C -3.332005 0.987480 2.629608
C -5.157936 0.929518 0.984856
C -4.701460 1.143370 2.307271
C 2.763150 1.039275 -0.983577
C 3.578663 0.673206 1.307350
C 3.945918 1.749080 -1.284089
C 4.760461 1.376703 0.997940
C 4.949379 1.909587 -0.300353
C 0.964286 -4.773236 -1.570791
H -1.662046 -2.895182 -1.391936
H -0.182831 -2.473321 -2.298873
H 1.406530 -1.173029 -1.220730
H -1.336792 0.475051 1.868872
H -4.560257 0.382891 -1.063379
H -0.208589 -4.395222 0.172902
H -2.985475 1.141260 3.656799
H -6.218897 1.047711 0.740595
H -5.415049 1.425671 3.089136
H 1.948261 0.987397 -1.715438
H 3.408325 0.267555 2.310179
H 4.074484 2.194762 -2.276277
H 5.530798 1.513959 1.764348
H 5.866016 2.460783 -0.537932
H 1.388523 -5.711902 -1.198425
H 1.273758 -4.454653 -2.574138


