%chk=000265313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265313

0 1
S -3.818155 1.868957 -0.533136
O -1.719529 1.638650 -1.217853
O -2.413134 -2.083983 1.354237
N -2.196037 -0.306125 -0.122838
N -4.560266 -0.380293 0.594751
C 0.613666 -1.052627 -0.276426
C 3.427360 -0.201973 0.382305
C 0.994409 -0.431687 1.086355
C 1.854231 -1.727203 -0.906691
C 2.199674 0.510063 0.983666
C 3.054193 -0.776893 -0.998923
C 4.683070 0.729699 0.318830
C 0.048466 0.018440 -1.235372
C -0.487168 -2.121614 -0.078259
C 5.885414 -0.067681 -0.228600
C 4.436787 1.953246 -0.581330
C 5.035215 1.210879 1.741694
C -1.310700 0.536325 -0.877942
C -1.770339 -1.566538 0.484864
C -3.506285 0.207324 0.067587
C -5.467665 1.713034 0.012841
C -5.677952 0.486932 0.566957
H 3.690309 -1.058460 1.051936
H 1.220986 -1.241738 1.808169
H 0.135200 0.115468 1.519469
H 1.613538 -2.121649 -1.911233
H 2.136413 -2.610441 -0.298899
H 1.938572 1.397982 0.375353
H 2.442495 0.900008 1.991898
H 3.917703 -1.322576 -1.427612
H 2.838706 0.045660 -1.706953
H 0.007414 -0.374092 -2.276435
H 0.755262 0.881466 -1.290213
H -0.129068 -2.928208 0.599608
H -0.709584 -2.635444 -1.038279
H 5.722703 -0.395486 -1.260131
H 6.796432 0.540488 -0.225488
H 6.088443 -0.957488 0.375218
H 3.603126 2.562433 -0.217175
H 4.209132 1.660460 -1.610872
H 5.318721 2.602115 -0.616915
H 5.204419 0.370962 2.422527
H 5.948150 1.815997 1.739984
H 4.241334 1.830867 2.171035
H -6.170520 2.515921 -0.111672
H -6.600944 0.099622 0.987565


%chk=000265313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265313

0 1
S -3.816967 1.335137 1.497681
O -1.674329 1.631519 -1.446944
O -2.692572 -2.109494 1.157101
N -2.204270 -0.271210 -0.199443
N -4.566509 0.023786 -0.702429
C 0.585931 -1.067254 -0.259419
C 3.430762 -0.119321 0.381459
C 0.949623 -0.280972 1.035338
C 1.860053 -1.798753 -0.765656
C 2.173666 0.651311 0.869538
C 3.083876 -0.867381 -0.934875
C 4.733673 0.766081 0.291898
C 0.023612 -0.129627 -1.360115
C -0.514313 -2.117226 0.039480
C 5.942178 -0.120942 -0.122925
C 4.588820 1.925531 -0.731857
C 5.049655 1.369470 1.690417
C -1.318452 0.505489 -1.026078
C -1.873600 -1.536964 0.400582
C -3.508872 0.254064 0.047238
C -5.516301 1.418765 0.949733
C -5.700149 0.675129 -0.205335
H 3.649069 -0.900440 1.147641
H 1.171697 -1.020933 1.832198
H 0.079498 0.307343 1.389909
H 1.639917 -2.309899 -1.725445
H 2.116735 -2.593716 -0.034211
H 1.933165 1.467022 0.158748
H 2.371549 1.136231 1.842831
H 3.942326 -1.478913 -1.267473
H 2.889492 -0.134485 -1.743037
H -0.113673 -0.707597 -2.298363
H 0.707785 0.699696 -1.599996
H -0.223911 -2.783202 0.871024
H -0.663564 -2.765343 -0.850119
H 5.852125 -0.489175 -1.160664
H 6.881603 0.459652 -0.060031
H 6.041240 -0.997889 0.545636
H 3.765085 2.611082 -0.461890
H 4.402405 1.550258 -1.754924
H 5.519822 2.522315 -0.763486
H 5.095168 0.579530 2.464936
H 6.029006 1.883334 1.673835
H 4.294120 2.112008 2.003481
H -6.246209 2.000823 1.507983
H -6.645768 0.565962 -0.736370


