%chk=000270722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270722

0 1
S 2.384066 0.004036 1.492139
O -3.415421 1.299601 0.337297
O -2.946633 -1.198526 -0.823757
N -1.564143 -0.029885 0.578233
N -0.356326 0.046894 1.299645
N 1.059070 0.045598 -0.741700
N 2.362439 0.129439 -1.090325
C 0.850103 -0.023649 0.576573
C -2.215935 1.277448 0.322337
C -2.005848 -1.251690 -0.074813
C 3.225724 0.115727 -0.093717
C -1.305962 2.432599 0.090073
C -1.241410 -2.494675 0.259230
C 4.687343 0.181290 -0.150343
H -0.384963 -0.582969 2.123277
H -0.610241 2.240026 -0.747331
H -1.882255 3.337490 -0.159436
H -0.684883 2.662672 0.969523
H -1.740969 -3.367391 -0.201188
H -1.180853 -2.700323 1.333542
H -0.222368 -2.474444 -0.159523
H 5.085144 1.074229 0.361333
H 5.164172 -0.703976 0.303086
H 5.046050 0.232179 -1.197954


%chk=000270722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270722

0 1
S 2.390136 0.050347 1.529622
O -3.352522 1.306316 -0.391217
O -3.061723 -1.424587 -0.815989
N -1.579415 -0.040019 0.396098
N -0.379463 -0.015933 1.131034
N 1.045751 0.033236 -0.806573
N 2.409917 0.069279 -1.153465
C 0.860719 0.020586 0.515888
C -2.200048 1.241156 0.079740
C -2.048789 -1.330264 -0.096427
C 3.249688 0.082579 -0.133919
C -1.337556 2.463313 0.369062
C -1.200440 -2.524214 0.321940
C 4.742322 0.120305 -0.231176
H -0.450843 -0.028812 2.148433
H -0.384780 2.413138 -0.186335
H -1.903849 3.348641 0.045196
H -1.101232 2.561763 1.443588
H -1.718054 -3.431093 -0.022849
H -1.053937 -2.577189 1.414681
H -0.204845 -2.477499 -0.154428
H 5.157821 1.023927 0.249998
H 5.203171 -0.761101 0.249769
H 5.023874 0.127821 -1.296470


