%chk=000267912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267912

0 1
S -0.484883 -1.351257 -0.202849
O 2.171833 -2.610408 -0.579835
O 4.663307 1.131797 0.424422
N 1.128655 0.716742 0.340797
N 3.457735 -0.786041 -0.091333
N 2.358191 1.269030 0.480220
C -1.772001 -0.084793 0.153456
C -1.978368 0.791397 -1.079470
C -3.017023 -0.900527 0.507732
C -3.179662 1.726957 -0.866899
C -4.213258 0.042478 0.720239
C -4.444914 0.936571 -0.505685
C 1.042497 -0.540544 -0.002349
C 2.195940 -1.450557 -0.262043
C 3.597257 0.576805 0.281275
H -1.452037 0.536443 1.022872
H -2.148671 0.169479 -1.981297
H -1.069446 1.389240 -1.288021
H -2.848312 -1.502291 1.422694
H -3.262118 -1.624463 -0.296508
H -3.354234 2.322222 -1.782818
H -2.950659 2.457327 -0.067132
H -4.043097 0.669418 1.616729
H -5.121596 -0.552836 0.931607
H -5.282113 1.632800 -0.311419
H -4.757038 0.315979 -1.367972
H 4.323829 -1.322947 -0.245373
H 2.373186 2.261178 0.755359


%chk=000267912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267912

0 1
S -0.484790 -1.591758 -0.257860
O 2.339058 -2.651998 -0.578787
O 4.599205 1.330807 0.475476
N 1.025489 0.632549 0.303441
N 3.463539 -0.669928 -0.050659
N 2.254276 1.261163 0.466373
C -1.791300 -0.226222 0.087800
C -1.977741 0.688147 -1.138374
C -3.099266 -0.936911 0.488835
C -3.089504 1.733174 -0.858650
C -4.211641 0.110188 0.758689
C -4.416688 1.048558 -0.454549
C 1.040868 -0.651163 -0.035711
C 2.292908 -1.437622 -0.253468
C 3.528102 0.693538 0.314529
H -1.383803 0.354377 0.935592
H -2.263316 0.069541 -2.012106
H -1.026466 1.192947 -1.383291
H -2.936627 -1.564871 1.384516
H -3.422974 -1.609565 -0.331426
H -3.236352 2.363965 -1.756050
H -2.761561 2.408725 -0.041869
H -3.935603 0.714766 1.646981
H -5.154645 -0.412537 1.008055
H -5.184834 1.810363 -0.220472
H -4.799748 0.458600 -1.312736
H 4.362297 -1.146555 -0.181984
H 2.204118 2.246922 0.724103


