%chk=000215518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215518

0 1
S 1.973892 1.254848 -1.306724
O -1.029214 3.059215 -0.890102
N -3.936994 -0.519932 -0.302817
N -0.753241 1.321607 0.570296
C -2.498454 -0.130571 -0.465898
C -2.193428 0.974272 0.570682
C -4.169568 -1.900229 -0.824622
C -4.833465 0.450827 -0.999518
C -0.274194 2.337119 -0.262237
C 1.225658 2.524998 -0.260446
C 2.090107 -0.130904 -0.228875
C 2.325147 -2.404300 1.373919
C 3.017920 -0.142856 0.815537
C 1.284777 -1.242288 -0.489273
C 3.130772 -1.278159 1.619922
C 1.404611 -2.379854 0.312526
C 2.461415 -3.622427 2.225664
H -2.246371 0.228372 -1.487137
H -1.852727 -1.012822 -0.272443
H -2.483125 0.640016 1.591382
H -2.790964 1.890128 0.344417
H -0.125010 0.636069 0.980145
H -3.569211 -2.612254 -0.236819
H -3.936150 -2.039751 -1.890026
H -5.227527 -2.166813 -0.667387
H -5.879789 0.200121 -0.763956
H -4.720661 0.483814 -2.093160
H -4.646430 1.465259 -0.609575
H 1.656585 2.547968 0.755971
H 1.471920 3.510325 -0.720792
H 3.656798 0.721608 1.002015
H 0.569790 -1.228966 -1.314483
H 3.851542 -1.293812 2.435593
H 0.784478 -3.251222 0.110296
H 1.546710 -4.230459 2.243771
H 3.270250 -4.269461 1.851261
H 2.702751 -3.378183 3.269494


%chk=000215518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215518

0 1
S 2.132769 1.320922 -1.444159
O -1.078255 3.188640 -0.923594
N -3.907718 -0.565092 -0.277185
N -0.709536 1.361202 0.479700
C -2.494143 -0.148089 -0.414763
C -2.127995 0.985450 0.576728
C -4.152346 -1.921129 -0.809228
C -4.858556 0.419853 -0.837217
C -0.280957 2.418709 -0.304517
C 1.235551 2.613283 -0.354783
C 2.158618 -0.129630 -0.302626
C 2.258643 -2.437408 1.379452
C 2.914236 -0.107757 0.895062
C 1.457402 -1.305491 -0.662221
C 2.949111 -1.246128 1.729784
C 1.516973 -2.447179 0.169922
C 2.339826 -3.672234 2.259148
H -2.245482 0.190543 -1.452368
H -1.855675 -1.025905 -0.194784
H -2.359759 0.653110 1.604419
H -2.712885 1.894733 0.360226
H -0.008087 0.732998 0.879242
H -3.488644 -2.646321 -0.304928
H -3.984515 -2.005867 -1.913388
H -5.197231 -2.216424 -0.603551
H -5.892740 0.087557 -0.636680
H -4.742844 0.557045 -1.942076
H -4.723445 1.404201 -0.358961
H 1.698648 2.583323 0.645819
H 1.450078 3.578740 -0.835915
H 3.484266 0.788595 1.164787
H 0.868140 -1.319320 -1.585043
H 3.534588 -1.214742 2.656675
H 0.974339 -3.353999 -0.123177
H 1.464470 -4.329716 2.118429
H 3.241333 -4.268876 2.019148
H 2.400423 -3.406295 3.329225


