%chk=000260077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260077

0 1
S 1.099260 0.660968 -1.117700
S 3.682081 1.052398 -2.581468
O -0.472450 -1.969187 1.015781
O 2.596134 1.708629 2.262122
O -5.629154 0.939497 -1.093031
O -4.531661 2.607168 -0.256606
O 0.842175 -3.618262 -1.826993
O 1.645566 -1.765543 -0.828751
N 3.268589 1.459416 0.055732
N -4.657304 1.428358 -0.540907
C 0.993200 0.929180 0.615665
C 4.690238 1.821733 0.349673
C -1.347656 0.193268 0.762600
C 2.305652 1.396529 1.134376
C -0.100424 0.712679 1.349246
C -1.494192 -1.194034 0.505896
C 2.839625 1.084889 -1.204582
C -2.396983 1.046002 0.422949
C 5.533393 0.580468 0.608941
C -3.549660 0.518919 -0.186682
C -2.630422 -1.715991 -0.127835
C -3.665790 -0.851679 -0.473666
C -0.078735 -3.144764 0.278956
C 0.909019 -2.715361 -0.792884
H 5.095384 2.407664 -0.508472
H 4.688424 2.490137 1.244468
H -0.117198 0.902029 2.432056
H -2.327605 2.126238 0.611769
H 5.162482 0.003740 1.465840
H 5.548152 -0.093911 -0.258721
H 6.573587 0.855678 0.823731
H -2.712878 -2.782631 -0.335044
H -4.573475 -1.228949 -0.962619
H 0.426895 -3.754708 1.060768
H -0.940844 -3.701768 -0.132198
H 1.475376 -3.403799 -2.568810


%chk=000260077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260077

0 1
S 1.017892 2.783336 -0.051782
S 3.207693 4.962064 0.198905
O -0.446302 -2.523005 0.685986
O 3.480482 -0.048940 1.188274
O -4.981716 1.298615 -1.684926
O -3.229488 2.752313 -1.518800
O -1.309799 -6.006754 -0.097207
O -0.760575 -4.271667 -1.559847
N 3.490187 2.275517 0.772152
N -3.756254 1.580842 -1.384447
C 1.444963 1.069206 0.388427
C 4.925251 2.406529 1.138233
C -0.731520 -0.247626 0.001271
C 2.869448 0.989138 0.819523
C 0.664598 -0.059080 0.375338
C -1.306364 -1.562838 0.150094
C 2.731039 3.357861 0.348219
C -1.571286 0.774541 -0.511550
C 5.845459 2.264006 -0.088754
C -2.907115 0.492491 -0.852306
C -2.649438 -1.827382 -0.203248
C -3.460876 -0.797370 -0.706577
C -0.907652 -3.885117 0.895779
C -0.972377 -4.686575 -0.407933
H 5.051189 3.394424 1.612541
H 5.128496 1.610372 1.874309
H 1.193349 -0.962616 0.705978
H -1.211854 1.795063 -0.662915
H 5.722851 1.274585 -0.561396
H 5.633967 3.049576 -0.833947
H 6.898616 2.364852 0.228582
H -3.071136 -2.830554 -0.106428
H -4.501189 -0.972021 -0.991900
H -0.156787 -4.345778 1.557442
H -1.886505 -3.923127 1.410870
H -1.338448 -6.559879 -0.924358


