%chk=000281139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281139

0 1
S 1.294089 2.051560 -0.067915
O -3.057569 -0.290571 -0.002719
O -1.320651 -1.733750 0.041299
O 3.156116 0.673545 -0.027114
N 1.305314 -0.671469 0.011906
N -1.320968 1.922071 -0.065786
N 3.503272 -1.624682 0.040439
C 0.529349 0.472106 -0.022197
C -0.854715 0.593719 -0.026647
C -1.731477 -0.577092 0.006968
C -3.972972 -1.448739 0.030540
C 2.725791 -0.480610 0.006559
C -0.338879 2.781980 -0.090262
C -5.341653 -0.805513 0.008509
C 4.976438 -1.505242 0.037169
H 0.821918 -1.586078 0.038739
H -3.758560 -2.071329 -0.854519
H -3.761909 -2.016555 0.952465
H -0.456741 3.857327 -0.121859
H -6.137696 -1.558049 0.029295
H -5.481262 -0.133704 0.868043
H -5.477587 -0.186165 -0.890132
H 3.110134 -2.557804 0.067085
H 5.288885 -0.440956 0.007616
H 5.401878 -2.006918 -0.849192
H 5.401652 -1.956981 0.950112


%chk=000281139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281139

0 1
S 1.259541 2.523609 -0.080437
O -2.939224 -0.246355 -0.005469
O -1.003887 -1.545520 0.031692
O 3.481872 0.695865 -0.026126
N 1.353865 -0.300558 -0.001408
N -1.409278 2.130666 -0.072649
N 3.269152 -1.641254 0.039922
C 0.599849 0.849576 -0.034732
C -0.817784 0.857274 -0.036494
C -1.570541 -0.394229 -0.001189
C -3.738974 -1.512126 0.031800
C 2.768778 -0.350861 0.002240
C -0.509758 3.084399 -0.098163
C -5.204325 -1.092516 0.019034
C 4.712369 -1.900955 0.050316
H 0.743250 -1.150995 0.022636
H -3.461764 -2.123933 -0.845639
H -3.462316 -2.070677 0.944266
H -0.726149 4.151934 -0.128329
H -5.849955 -1.989289 0.047854
H -5.440380 -0.463329 0.893631
H -5.441324 -0.519984 -0.893400
H 2.625608 -2.433417 0.061187
H 5.227297 -0.927787 0.025467
H 5.020365 -2.488872 -0.833858
H 5.015908 -2.440565 0.966249


