%chk=000218061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218061

0 1
S -0.081156 2.323365 0.061391
O -1.584123 -2.451469 0.173569
N -2.690335 1.500306 -0.214696
N -3.167052 -0.853845 -0.130123
C 2.466812 -1.607461 -0.541302
C 1.327722 -1.452528 0.476953
C 3.685971 -0.725387 -0.241008
C 0.571085 -0.178329 0.298974
C 3.462703 0.759951 -0.553792
C 2.544933 1.462958 0.462581
C 1.127488 1.071266 0.297254
C -0.866560 -0.136262 0.116642
C -1.362489 1.161877 -0.026303
C -1.783032 -1.258304 0.071007
C -3.548733 0.489743 -0.261595
H 1.728704 -1.499283 1.511923
H 0.638657 -2.326263 0.390682
H 2.784009 -2.669461 -0.557662
H 2.085154 -1.392636 -1.559045
H 3.986106 -0.846979 0.817839
H 4.545944 -1.090197 -0.837972
H 3.042042 0.871848 -1.572683
H 4.441079 1.278885 -0.570466
H 2.676922 2.561605 0.369366
H 2.874502 1.215931 1.497893
H -3.868874 -1.597318 -0.173438
H -4.619181 0.705187 -0.410886


%chk=000218061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218061

0 1
S -0.125003 2.403772 0.058067
O -1.606573 -2.502170 0.181145
N -2.743530 1.520736 -0.236787
N -3.195946 -0.821642 -0.146276
C 2.488086 -1.644935 -0.522664
C 1.345869 -1.455070 0.511518
C 3.725648 -0.736448 -0.317242
C 0.533402 -0.183970 0.322698
C 3.501939 0.778498 -0.545226
C 2.554734 1.457734 0.484491
C 1.103270 1.084702 0.314947
C -0.901660 -0.140472 0.122797
C -1.425602 1.168425 -0.033965
C -1.843246 -1.260981 0.067794
C -3.591109 0.500142 -0.285824
H 1.789505 -1.461011 1.529656
H 0.655463 -2.313704 0.460524
H 2.824309 -2.699180 -0.463946
H 2.082918 -1.501053 -1.544169
H 4.113799 -0.889707 0.712487
H 4.528001 -1.075129 -1.003152
H 3.109799 0.951594 -1.566669
H 4.484038 1.288827 -0.488212
H 2.668975 2.555213 0.411631
H 2.887159 1.178407 1.507255
H -3.889380 -1.575502 -0.192125
H -4.656570 0.690124 -0.443650


