%chk=000236051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236051

0 1
S -0.684683 2.513891 -1.092348
S 0.614164 2.757950 0.484819
O -5.952532 -0.995799 0.962491
O 5.946153 -1.000375 -0.823033
O -4.803098 -2.767051 0.230839
O 4.858280 -2.588000 0.310854
N -0.384584 -0.518050 -1.342783
N 0.649713 0.051631 1.874320
C -1.837017 1.313434 -0.584440
C 1.816978 1.523157 0.293778
C -1.612335 -0.055857 -0.858455
C 1.694362 0.296725 0.989571
C -3.803687 -0.547297 0.067065
C 3.814674 -0.399204 0.026447
C -2.627587 -0.992087 -0.530530
C 2.719754 -0.679983 0.832654
C -3.024526 1.735900 0.020734
C 2.934995 1.782072 -0.508899
C -4.014468 0.811451 0.351516
C 3.938908 0.828887 -0.648815
C -4.836914 -1.569010 0.395453
C 4.859915 -1.452845 -0.107853
H -2.491343 -2.055296 -0.739775
H 2.650415 -1.639616 1.348687
H -3.181949 2.797781 0.232948
H 3.020104 2.739839 -1.030480
H -4.946878 1.130828 0.820989
H 4.816936 1.021414 -1.266781
H -0.366053 -1.430131 -1.777104
H 0.244513 0.147464 -1.779893
H 0.461017 -0.902808 2.140716
H -0.171125 0.643190 1.847891
H -6.651129 -1.671892 1.183687
H 6.653426 -1.696812 -0.911869


%chk=000236051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236051

0 1
S -0.733877 2.097881 -1.237923
S 0.663587 2.355611 0.730604
O -6.698686 -0.447007 0.873893
O 6.715751 -0.390193 -0.801511
O -5.664993 -2.467752 0.392443
O 5.777029 -2.269399 0.184552
N -0.982474 -0.987353 -1.205332
N 1.055366 -0.624088 1.477676
C -2.141821 1.111173 -0.674037
C 2.109972 1.317747 0.406282
C -2.115414 -0.328998 -0.770475
C 2.150313 -0.050969 0.862665
C -4.430758 -0.380756 0.069809
C 4.456468 -0.217570 0.010972
C -3.283231 -1.054194 -0.395052
C 3.345567 -0.798951 0.654674
C -3.310087 1.763481 -0.196065
C 3.242757 1.876402 -0.244464
C -4.454142 1.039480 0.174397
C 4.414287 1.130532 -0.446720
C -5.605991 -1.214963 0.444925
C 5.664073 -1.070235 -0.169455
H -3.306359 -2.147928 -0.461618
H 3.418298 -1.839131 0.992305
H -3.299274 2.856010 -0.131284
H 3.181224 2.915816 -0.581679
H -5.353932 1.542309 0.534617
H 5.286622 1.563373 -0.940581
H -0.969233 -1.998048 -1.313540
H -0.167895 -0.438789 -1.485491
H 1.085452 -1.579811 1.822499
H 0.215912 -0.060943 1.623673
H -7.448360 -1.059074 1.103226
H 7.488248 -1.010159 -0.891584


