%chk=000220437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220437

0 1
S -1.418735 -1.529446 0.880210
O -1.992706 -1.739546 2.197345
O -1.220665 -2.664982 0.015867
N 0.845259 -0.461811 0.178603
N 0.119253 -0.818525 1.284035
C 4.491821 1.527865 0.267196
C 3.503358 1.586574 -0.905074
C 3.777833 1.139829 1.569007
C 2.754619 0.257008 -1.075617
C 3.033326 -0.196018 1.422174
C 2.112119 -0.164095 0.227051
C -2.273131 -0.283576 0.053493
C -1.976737 0.005426 -1.282130
C -3.270210 0.433096 0.725366
C -2.683043 1.011352 -1.950452
C -3.976224 1.437282 0.058365
C -3.681076 1.725119 -1.279683
H 5.295516 0.799475 0.046311
H 4.991440 2.507194 0.389004
H 4.037119 1.836117 -1.841058
H 2.772992 2.403133 -0.739293
H 3.059292 1.933851 1.853553
H 4.507262 1.071903 2.397639
H 3.452409 -0.542139 -1.400955
H 1.999781 0.347009 -1.883982
H 2.489906 -0.422133 2.359744
H 3.761234 -1.024120 1.288826
H 0.584753 -1.016795 2.181586
H -1.192130 -0.552064 -1.806160
H -3.500556 0.203645 1.772786
H -2.454431 1.236295 -2.990742
H -4.753945 1.993949 0.578443
H -4.232305 2.509130 -1.800360


%chk=000220437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220437

0 1
S -1.434476 -1.651591 0.704319
O -2.072737 -2.054940 2.147046
O -1.146186 -2.764848 -0.446849
N 0.959394 -0.432647 0.119793
N 0.176991 -0.696564 1.235481
C 4.621357 1.564222 0.367596
C 3.736881 1.540603 -0.900912
C 3.789737 1.263343 1.636088
C 2.995710 0.181042 -1.039634
C 3.045110 -0.101160 1.523195
C 2.243979 -0.163446 0.230790
C -2.421807 -0.251678 -0.068395
C -2.393840 -0.126091 -1.465804
C -3.163148 0.579075 0.786712
C -3.161492 0.913656 -2.040122
C -3.923986 1.611298 0.191277
C -3.918798 1.777783 -1.214503
H 5.427452 0.807868 0.267221
H 5.117330 2.548437 0.469270
H 4.350620 1.720270 -1.803841
H 2.990100 2.357483 -0.845883
H 3.043106 2.067866 1.786594
H 4.439835 1.249954 2.531318
H 3.748634 -0.611437 -1.236672
H 2.289766 0.189698 -1.887081
H 2.408707 -0.247041 2.415504
H 3.799969 -0.914701 1.513503
H 0.576230 -1.299938 1.990223
H -1.806501 -0.822500 -2.071963
H -3.156449 0.412568 1.868540
H -3.166672 1.045547 -3.127041
H -4.519102 2.278668 0.823147
H -4.512317 2.579203 -1.667817


