%chk=000250566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250566

0 1
S 0.619910 1.644985 -0.122122
O 1.019489 2.962488 0.334938
O -0.195938 1.552822 -1.321854
N -0.266138 0.953945 1.213396
N -3.100495 0.537329 0.585500
C -1.316357 1.860196 1.757462
C -2.537473 1.906936 0.823802
C -0.805060 -0.369597 0.984542
C -2.173322 -0.551252 0.629159
C -4.030266 0.528336 -0.590838
C 0.033095 -1.474480 1.181907
C -2.641807 -1.867371 0.431844
C 2.001261 0.621276 -0.277188
C -3.319876 0.530152 -1.942108
C -0.455374 -2.766631 0.981113
C -1.788875 -2.956046 0.604519
C 2.031634 -0.362194 -1.271639
C 3.093119 0.792289 0.580004
C 3.154134 -1.184844 -1.402750
C 4.215591 -0.030910 0.449783
C 4.243984 -1.018918 -0.540809
H -0.888749 2.878807 1.908536
H -1.606326 1.484455 2.766929
H -3.350639 2.506008 1.292028
H -2.268693 2.414586 -0.133882
H -4.683546 -0.368258 -0.493984
H -4.701877 1.410177 -0.500152
H 1.066771 -1.321552 1.493819
H -3.681879 -2.033974 0.155662
H -2.451705 1.214834 -1.956096
H -2.916946 -0.458726 -2.191137
H -3.988786 0.833681 -2.751983
H 0.198722 -3.622510 1.125607
H -2.169211 -3.965241 0.449781
H 1.179062 -0.485259 -1.950251
H 3.074823 1.573475 1.347865
H 3.179695 -1.951560 -2.175783
H 5.067101 0.100164 1.115967
H 5.120242 -1.660717 -0.642986


%chk=000250566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250566

0 1
S 1.006562 1.171978 -0.529315
O 1.078326 2.813802 -0.300708
O 0.516427 0.560253 -1.982655
N -0.328790 0.366804 1.214793
N -3.123737 0.588166 0.438049
C -1.112076 1.603683 1.464070
C -2.284309 1.809166 0.485920
C -1.059883 -0.711539 0.739033
C -2.480797 -0.638375 0.398722
C -4.551336 0.748531 0.097378
C -0.391441 -1.977750 0.666043
C -3.159369 -1.855721 0.074930
C 2.762383 0.523805 -0.256624
C -4.817075 0.857629 -1.423387
C -1.072333 -3.144744 0.316965
C -2.468952 -3.074433 0.031518
C 3.142783 -0.645869 -0.936797
C 3.613358 1.234450 0.606235
C 4.456325 -1.129486 -0.732074
C 4.922733 0.735283 0.798697
C 5.339401 -0.443870 0.135645
H -0.424801 2.468459 1.386849
H -1.470115 1.540347 2.512261
H -2.912747 2.655027 0.817841
H -1.886689 2.052506 -0.520847
H -5.122883 -0.091702 0.530898
H -4.907923 1.665699 0.602070
H 0.672561 -1.991692 0.926924
H -4.222571 -1.841789 -0.179852
H -4.286287 1.723538 -1.856240
H -4.477270 -0.047790 -1.955294
H -5.898046 0.988320 -1.612966
H -0.547756 -4.103953 0.271748
H -3.014278 -3.985899 -0.238589
H 2.442332 -1.134199 -1.622708
H 3.269432 2.156821 1.084965
H 4.788092 -2.033854 -1.253325
H 5.614328 1.268632 1.459629
H 6.355715 -0.823332 0.288799


