%chk=000269590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269590

0 1
S -6.775716 -0.300497 -0.283227
O -7.525216 0.883146 0.085221
O -7.092821 -1.048409 -1.482706
N 1.229469 0.542049 1.099750
N 4.197480 -1.588538 -1.088821
N 3.872537 1.494495 0.975496
N 5.844667 -0.014815 -0.425760
N -6.984344 -1.405537 1.020614
N 2.593295 -3.095898 -1.862899
C -0.878229 0.937157 -0.180977
C -0.220306 0.270424 1.044448
C -2.348582 0.634212 -0.214790
C 2.154017 -0.144245 0.336557
C -2.832022 -0.433104 -0.988865
C -3.245850 1.413681 0.534173
C -5.088653 0.056007 -0.257459
C 3.529472 0.331302 0.316556
C -4.198745 -0.716911 -1.010455
C -4.611046 1.124555 0.508812
C 1.846792 -1.301806 -0.380726
C 4.508294 -0.442350 -0.410226
C 2.883514 -1.982669 -1.079462
C 6.149778 1.103926 0.225116
C 5.138963 1.876378 0.934419
C 7.564457 1.571346 0.220869
H -0.704121 2.033589 -0.163014
H -0.377134 0.591211 -1.111818
H -0.680494 0.651280 1.985554
H -0.403407 -0.829792 1.026118
H 1.511674 1.429378 1.523954
H -2.144398 -1.035870 -1.580186
H -2.880344 2.248733 1.129490
H -4.573540 -1.541470 -1.628385
H -5.309361 1.744706 1.083114
H 0.835161 -1.684968 -0.417069
H 5.418411 2.797963 1.451752
H -7.524446 -1.097658 1.826400
H -7.241773 -2.364615 0.797791
H 7.656405 2.567528 -0.235574
H 7.971731 1.626260 1.240804
H 8.219294 0.890826 -0.353147
H 1.753099 -3.617888 -1.688901
H 3.366737 -3.619913 -2.254842


%chk=000269590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269590

0 1
S -6.953335 -0.364895 -0.099120
O -7.748133 1.035149 0.151773
O -7.296849 -1.393530 -1.315176
N 1.263941 0.563268 0.887096
N 4.348344 -1.552824 -1.181388
N 3.846519 1.407954 1.027998
N 5.927239 -0.004705 -0.341129
N -7.110675 -1.341321 1.457211
N 2.822549 -3.083915 -2.018355
C -0.900168 0.925628 -0.365269
C -0.173061 0.318600 0.882545
C -2.387771 0.628874 -0.335851
C 2.196029 -0.162526 0.182122
C -2.901411 -0.557784 -0.923860
C -3.287058 1.511507 0.319667
C -5.115102 0.026584 -0.179985
C 3.576813 0.292290 0.273945
C -4.275394 -0.873736 -0.853015
C -4.665692 1.220462 0.404355
C 1.942760 -1.298946 -0.603087
C 4.608468 -0.437558 -0.426510
C 3.048431 -1.955459 -1.251376
C 6.183052 1.096585 0.406495
C 5.135314 1.804656 1.093025
C 7.617981 1.565956 0.498770
H -0.717361 2.015685 -0.372382
H -0.433914 0.509866 -1.277140
H -0.607708 0.755043 1.800145
H -0.370328 -0.770291 0.925638
H 1.658482 1.368363 1.387536
H -2.223088 -1.235482 -1.455697
H -2.908020 2.441921 0.758370
H -4.688741 -1.770190 -1.326052
H -5.373659 1.906145 0.880626
H 0.931406 -1.699033 -0.723326
H 5.358721 2.693476 1.691975
H -7.724025 -0.814294 2.101649
H -7.488483 -2.271171 1.208296
H 7.728651 2.597436 0.114807
H 7.973272 1.566872 1.546312
H 8.258966 0.895478 -0.093432
H 1.897554 -3.487169 -2.131150
H 3.630185 -3.519772 -2.459357


