%chk=000254274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254274

0 1
S -1.397185 2.181070 0.841891
O -0.566506 1.217237 -0.420586
O -2.837563 1.954611 0.044926
O 0.160191 -1.341177 -0.781494
O 1.045348 2.883728 0.819505
O -1.269440 1.441510 2.072060
N 0.668946 0.773578 -0.021500
N 2.845500 1.422202 0.759591
N 2.894006 -2.124134 -0.313335
N 4.633852 -0.140219 0.736686
C 2.434237 -0.867575 -0.050169
C 3.302962 0.130192 0.478277
C 0.996401 -0.604516 -0.347317
C 1.493818 1.790769 0.523544
C 4.184520 -2.382382 -0.058328
C 5.061713 -1.384645 0.469502
C -3.563872 0.774911 0.010895
C -4.916435 0.889093 0.365140
C -2.994514 -0.428835 -0.418003
C -5.717667 -0.250917 0.275516
C -3.818341 -1.554540 -0.490633
C -5.172686 -1.469268 -0.146906
H 3.487485 2.117338 1.166080
H 4.543263 -3.397625 -0.272378
H 6.120045 -1.602162 0.675408
H -5.317657 1.845053 0.689426
H -1.936225 -0.491443 -0.696835
H -6.772696 -0.189589 0.539943
H -3.397081 -2.504824 -0.820440
H -5.803920 -2.352942 -0.208368


%chk=000254274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254274

0 1
S -1.595950 2.895790 0.156968
O 0.023149 2.538040 -1.169493
O -3.133821 2.023440 -0.615798
O -0.107178 -0.151091 -1.611023
O 1.744110 3.533484 0.696207
O -1.067988 1.959124 1.357771
N 0.885699 1.689719 -0.527334
N 2.669148 1.415269 1.025965
N 1.804232 -1.906239 -0.334708
N 3.642557 -0.673212 1.476254
C 1.778414 -0.560446 -0.110372
C 2.700338 0.046787 0.796266
C 0.762222 0.265152 -0.821321
C 1.771733 2.313681 0.436035
C 2.740663 -2.626598 0.338805
C 3.653933 -2.011552 1.239178
C -3.337221 0.665084 -0.329479
C -3.785050 0.266198 0.958156
C -3.148424 -0.280957 -1.369971
C -4.088555 -1.091843 1.185878
C -3.465726 -1.632478 -1.127818
C -3.933854 -2.040291 0.145321
H 3.330069 1.803256 1.706313
H 2.760987 -3.704862 0.157859
H 4.404000 -2.598107 1.778480
H -3.907149 1.015480 1.746298
H -2.763406 0.055784 -2.335432
H -4.445649 -1.410627 2.171011
H -3.330361 -2.369297 -1.926182
H -4.170423 -3.094190 0.328261


