%chk=000251577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251577

0 1
S -0.356802 1.166475 0.500076
O -0.098448 1.073368 1.911209
O 0.023159 2.281786 -0.326198
O 2.104068 1.443760 0.778772
O 4.034577 -2.993326 -1.557896
O -6.669767 -1.250208 1.302439
N 0.317034 -0.294659 -0.253886
N -6.094458 0.022219 -0.536289
C 1.670193 -0.586381 -0.347828
C 4.052623 0.190388 0.195896
C -2.015971 0.806239 0.207464
C 4.541992 -0.977697 -0.419311
C 2.597277 0.460177 0.268355
C 2.170118 -1.700944 -0.932867
C 3.602396 -1.990357 -1.023914
C -2.758494 0.077776 1.147183
C -2.642357 1.283481 -0.951709
C 4.943208 1.117204 0.750957
C 5.918078 -1.207008 -0.473106
C -4.726291 0.266801 -0.245649
C -4.102931 -0.202095 0.928122
C -3.985583 1.018200 -1.191544
C 6.322742 0.880272 0.693289
C 6.808131 -0.277424 0.083597
C -7.008137 -0.726851 0.265727
C -8.391080 -0.789576 -0.310788
H -0.314806 -0.997414 -0.658489
H 1.529756 -2.462613 -1.378512
H -2.279090 -0.271450 2.071498
H -2.070283 1.879085 -1.675542
H 4.551525 2.021864 1.226919
H 6.289714 -2.118120 -0.953511
H -4.673561 -0.776831 1.668386
H -4.456090 1.395449 -2.096201
H 7.013803 1.603594 1.126573
H 7.881725 -0.463576 0.037947
H -6.446121 0.433633 -1.405994
H -8.858044 0.201016 -0.405149
H -9.045940 -1.383740 0.352582
H -8.421166 -1.274714 -1.296406


%chk=000251577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251577

0 1
S -0.375841 1.502496 0.686164
O -0.214839 1.489106 2.295413
O -0.090227 2.803529 -0.233722
O 2.343895 1.608915 0.864465
O 3.842389 -3.092978 -1.539115
O -6.772373 -1.418329 1.273504
N 0.387295 -0.065791 -0.091130
N -6.119948 -0.106564 -0.563040
C 1.708098 -0.428556 -0.228601
C 4.168206 0.173237 0.175930
C -2.142656 0.955900 0.304220
C 4.550674 -1.049069 -0.447927
C 2.736348 0.534529 0.313874
C 2.105254 -1.616398 -0.831126
C 3.508731 -1.993184 -0.978251
C -2.835887 0.190752 1.256821
C -2.724455 1.391834 -0.899188
C 5.158020 1.057792 0.672763
C 5.920046 -1.373639 -0.567935
C -4.783960 0.227349 -0.226812
C -4.169092 -0.182936 0.991106
C -4.055161 1.019807 -1.160406
C 6.522693 0.726560 0.548473
C 6.903542 -0.489578 -0.072031
C -7.040804 -0.884544 0.161873
C -8.397618 -1.020810 -0.524119
H -0.354254 -0.685443 -0.433738
H 1.373121 -2.329196 -1.227777
H -2.354025 -0.087561 2.199780
H -2.158811 2.022169 -1.592524
H 4.836521 1.989854 1.148264
H 6.186619 -2.319007 -1.050878
H -4.740674 -0.778119 1.704476
H -4.532528 1.349564 -2.091236
H 7.288424 1.408826 0.931914
H 7.964532 -0.744594 -0.166811
H -6.456972 0.269483 -1.453014
H -8.879845 -0.034930 -0.659411
H -9.046747 -1.646904 0.104026
H -8.300988 -1.495767 -1.518071


