%chk=000266329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266329

0 1
S 5.552306 -1.170185 -0.000890
O -0.409235 0.205131 0.000091
O 1.205295 1.831581 0.000520
N 1.698722 -0.494846 -0.000460
N 3.882298 0.709468 0.000378
N 5.112814 0.538631 0.000282
C -2.727991 0.481254 0.000364
C -1.443992 1.256031 0.000634
C -3.329097 0.118896 -1.214281
C -3.328693 0.117387 1.214758
C -4.532290 -0.591967 -1.211390
C -4.531885 -0.593475 1.211385
C -5.135157 -0.946810 -0.000123
C 0.897831 0.669353 0.000086
C 3.101213 -0.511949 -0.000463
C 3.893279 -1.638427 -0.001200
H -1.293756 1.877684 -0.900860
H -1.293640 1.876848 0.902685
H -2.857591 0.386799 -2.159083
H -2.856869 0.384115 2.159733
H -4.999808 -0.870969 -2.154602
H -4.999088 -0.873652 2.154404
H -6.073502 -1.499524 -0.000310
H 1.221074 -1.403589 -0.000844
H 3.586162 -2.669484 -0.001914


%chk=000266329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266329

0 1
S 4.717179 -0.685523 1.894620
O -0.277840 0.047563 -1.542881
O 0.707499 1.141490 0.308333
N 1.638861 -0.779956 -0.684580
N 3.639204 -1.979776 -0.176018
N 4.697505 -2.142244 0.531118
C -2.553505 0.486075 -0.607766
C -1.443885 1.005915 -1.493300
C -3.575122 -0.337613 -1.145611
C -2.584099 0.817284 0.771961
C -4.609657 -0.827965 -0.318429
C -3.618492 0.327834 1.599504
C -4.632895 -0.495328 1.056349
C 0.689472 0.222945 -0.551421
C 2.781360 -0.909324 0.120151
C 3.206796 -0.122732 1.191931
H -1.746622 1.064364 -2.550075
H -1.058934 1.979275 -1.144529
H -3.558062 -0.595522 -2.211774
H -1.788770 1.445851 1.187946
H -5.395842 -1.462495 -0.742229
H -3.635635 0.588705 2.663404
H -5.436608 -0.873028 1.698360
H 1.503622 -1.475837 -1.421248
H 2.672869 0.748343 1.565086


