%chk=000257703.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257703

0 1
S -2.239557 1.265395 -1.353113
O 1.589963 2.269829 1.489380
O -1.088907 1.740313 -0.156559
O 1.740229 3.294440 -1.678496
O -1.442337 0.682049 -2.400139
O -3.014252 2.452980 -1.582041
N 2.108001 0.261129 0.458460
N 4.256837 -0.523646 0.210019
N 0.873880 -1.774154 -0.349158
N 2.391651 -3.573936 -1.031260
N 4.746597 -3.400064 -0.901995
C 0.289374 1.716105 -0.476490
C 0.800804 3.173482 -0.621576
C 0.987164 1.174634 0.807476
C 1.448871 3.526730 0.738921
C 0.593436 4.439784 1.592018
C 1.994976 -1.040779 -0.040991
C 3.515309 0.515919 0.601801
C 3.346217 -1.513064 -0.199297
C -3.122008 0.105354 -0.471245
C 3.515217 -2.833630 -0.714447
C -4.407449 0.410314 0.000364
C -2.562806 -1.153152 -0.207688
C 1.157643 -3.013025 -0.837088
C -5.131736 -0.533953 0.722893
C -3.284335 -2.100460 0.516987
C -4.573718 -1.798848 0.989130
C -5.350863 -2.816375 1.752440
H 0.489492 1.104465 -1.392028
H -0.011091 3.875534 -0.923783
H 0.289174 0.676619 1.523212
H 2.491114 3.893566 0.627238
H 0.566610 5.461316 1.194660
H -0.442880 4.076389 1.662973
H 0.977920 4.486765 2.620865
H 2.474326 2.647656 -1.591799
H 3.869822 1.455923 1.007636
H -4.845367 1.395777 -0.202214
H -1.553039 -1.399116 -0.568884
H 0.298181 -3.648424 -1.111891
H -6.130436 -0.292663 1.083125
H -2.842517 -3.075165 0.719602
H 5.583876 -2.877056 -0.694441
H 4.835208 -4.328597 -1.283820
H -4.706396 -3.481044 2.345839
H -6.071245 -2.365284 2.449503
H -5.927753 -3.459134 1.067700


%chk=000257703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257703

0 1
S -2.200215 1.275910 -1.506541
O 1.647108 2.280589 1.562972
O -1.036243 2.041515 -0.164047
O 2.303981 3.135181 -1.426041
O -1.214180 0.538789 -2.564346
O -3.195353 2.458177 -1.971269
N 2.140688 0.252069 0.434571
N 4.254214 -0.598664 0.139039
N 0.811501 -1.684349 -0.401950
N 2.256145 -3.525576 -1.162791
N 4.615358 -3.428709 -1.075773
C 0.380315 1.848647 -0.459076
C 1.099498 3.222427 -0.594048
C 1.051474 1.197987 0.793047
C 1.404687 3.606107 0.871488
C 0.278779 4.360983 1.584321
C 1.972395 -1.027320 -0.104714
C 3.528333 0.451952 0.568641
C 3.290740 -1.529405 -0.287668
C -3.132565 0.038166 -0.453519
C 3.405057 -2.837028 -0.846062
C -4.475005 0.324638 -0.159115
C -2.448850 -1.107284 -0.014863
C 1.051960 -2.925567 -0.927842
C -5.179045 -0.617193 0.622486
C -3.184166 -2.025074 0.767150
C -4.549813 -1.800823 1.092336
C -5.325392 -2.817505 1.908318
H 0.503868 1.237009 -1.376578
H 0.460474 3.957503 -1.102863
H 0.302874 0.655617 1.396073
H 2.363639 4.149021 0.941407
H 0.192035 5.386478 1.180041
H -0.688355 3.847553 1.446881
H 0.497745 4.429340 2.663485
H 2.929426 2.457212 -1.059790
H 3.927256 1.349322 1.033516
H -4.947630 1.240555 -0.527183
H -1.386955 -1.280773 -0.248813
H 0.170178 -3.513451 -1.200923
H -6.229205 -0.426604 0.870612
H -2.682299 -2.927827 1.133916
H 5.474247 -2.931232 -0.849584
H 4.640541 -4.362026 -1.481642
H -4.676006 -3.333207 2.636669
H -6.157467 -2.347753 2.460225
H -5.762573 -3.594478 1.251646


