%chk=000254074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254074

0 1
S 2.343468 -2.062020 0.017057
O 2.349300 -2.770932 -1.241071
O 3.304833 -2.375081 1.052765
O -0.389917 -0.334851 1.965101
N 0.814804 -2.434153 0.816928
N -0.267240 -1.768725 0.198347
N -2.798001 0.789807 2.508758
C 2.339464 -0.368450 -0.289093
C 2.575930 0.539324 0.749785
C 2.112546 0.105005 -1.587107
C 2.351471 2.388455 -0.805012
C 2.582198 1.911031 0.496788
C 2.115936 1.474332 -1.847823
C -2.153446 -0.175355 0.350234
C -0.922087 -0.729668 0.928593
C -3.042933 0.584746 1.164513
C 2.341180 3.855062 -1.078198
C -2.472087 -0.346252 -1.015899
C -4.244993 1.107740 0.595063
C -3.633547 0.173546 -1.558982
C -4.526453 0.897219 -0.738940
H 2.760013 0.177373 1.767314
H 1.937416 -0.605376 -2.404269
H 0.811240 -2.334156 1.856391
H 2.763419 2.610027 1.310975
H 1.938180 1.834966 -2.858767
H -0.847677 -2.443292 -0.326181
H 1.316689 4.254402 -1.011682
H 2.953506 4.422783 -0.363782
H 2.715478 4.097341 -2.082839
H -1.779136 -0.889816 -1.663516
H -4.933073 1.669627 1.220996
H -3.864369 0.032380 -2.611355
H -5.444743 1.296429 -1.174420
H -3.370860 1.421703 3.039418
H -1.884508 0.563828 2.905410


%chk=000254074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254074

0 1
S 1.605568 -1.296120 -0.395893
O 0.236126 -1.101724 -1.312635
O 2.741945 -2.386173 -0.852249
O -1.145804 0.393620 1.554781
N 0.427868 -1.870589 1.545148
N -0.827956 -1.830703 1.035829
N -3.650993 1.358474 1.321470
C 2.478209 0.386151 -0.342050
C 3.867383 0.406035 -0.545100
C 1.715347 1.542179 -0.107909
C 3.796205 2.859520 -0.289821
C 4.518536 1.659522 -0.522005
C 2.391599 2.781953 -0.088127
C -2.880359 -0.704430 0.221029
C -1.604435 -0.633468 0.934644
C -3.892050 0.298560 0.473699
C 4.511311 4.197430 -0.234244
C -3.145013 -1.732680 -0.734910
C -5.162368 0.162006 -0.171598
C -4.386635 -1.833795 -1.374334
C -5.404031 -0.885868 -1.068275
H 4.406532 -0.528484 -0.732964
H 0.632115 1.484516 0.047052
H 0.561613 -0.939793 2.023936
H 5.601181 1.703600 -0.688501
H 1.819113 3.700603 0.085455
H -1.142312 -2.690707 0.582950
H 4.796000 4.449167 0.805871
H 5.437302 4.188385 -0.834735
H 3.869553 5.015758 -0.604881
H -2.339969 -2.414894 -1.031257
H -5.942410 0.905129 0.032537
H -4.565153 -2.616318 -2.117290
H -6.381776 -0.960356 -1.557375
H -4.388105 2.026721 1.531790
H -2.702137 1.475771 1.695463


