%chk=000207882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207882

0 1
S 1.905528 -0.413092 -0.985904
O 4.791567 0.942442 1.178226
O 4.706866 0.013063 -0.780947
N -3.130675 -0.951925 -0.772330
N -2.502105 0.978255 0.497574
N -0.805285 -0.540605 -0.586591
N 0.579085 0.437646 1.133482
N 4.188760 0.433151 0.245629
C -2.118452 -0.411697 0.186754
C -3.805659 0.237473 -1.400910
C -3.346924 1.493942 -0.623922
C -4.077026 -1.903857 -0.131579
C 0.384669 -0.162668 -0.084116
C 2.773821 0.308651 0.335080
C 1.910304 0.687912 1.356491
H -1.998498 -0.993972 1.141082
H -4.907828 0.142369 -1.407499
H -3.474871 0.272188 -2.460466
H -2.814537 2.207562 -1.281660
H -4.204957 2.035875 -0.171141
H -1.720186 1.593101 0.746285
H -0.867588 -0.955840 -1.523453
H -3.514631 -2.767801 0.261707
H -4.766452 -2.292881 -0.900392
H -4.675033 -1.472800 0.687525
H 2.217407 1.161607 2.293876


%chk=000207882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207882

0 1
S 1.958098 -0.580018 -1.023205
O 4.711258 0.985240 1.454085
O 4.880054 -0.110476 -0.566227
N -3.217085 -0.804519 -0.719473
N -2.461686 1.101746 0.353640
N -0.834503 -0.543576 -0.632323
N 0.522409 0.474633 1.033229
N 4.193156 0.382264 0.424881
C -2.146457 -0.293673 0.142944
C -4.116252 0.333397 -1.080706
C -3.235961 1.575693 -0.813682
C -3.885430 -2.047889 -0.296901
C 0.373577 -0.189613 -0.138001
C 2.774643 0.249397 0.376069
C 1.852364 0.707006 1.313905
H -2.023439 -0.827772 1.103137
H -5.011633 0.352866 -0.420837
H -4.446447 0.259203 -2.131583
H -2.608084 1.811620 -1.702413
H -3.835251 2.464802 -0.558219
H -1.714454 1.676797 0.754170
H -0.954892 -0.972380 -1.553087
H -3.134882 -2.828666 -0.084484
H -4.526515 -2.416046 -1.116937
H -4.522432 -1.913016 0.608090
H 2.137143 1.231079 2.226727


