%chk=000290587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290587

0 1
S 1.750224 0.214201 0.555017
O -0.388708 1.288828 0.793996
O 1.840439 1.646959 0.243913
O 1.266847 -0.252314 1.841758
N 3.371445 -0.365388 0.374836
C 4.309164 0.530702 -0.377607
C 3.960527 -1.219404 1.453407
C -1.285583 0.677631 -0.149143
C 0.886297 -0.582128 -0.743479
C -0.462289 -0.304130 -0.999789
C 5.438931 -0.295382 -1.011378
C 4.871029 1.670759 0.480238
C 3.164534 -2.528506 1.553971
C 4.024758 -0.520365 2.817726
C -2.252268 -0.149973 0.694964
C -1.940135 1.791748 -0.954821
C 1.550822 -1.524250 -1.539887
C -1.126926 -0.966012 -2.047320
C 0.891939 -2.180528 -2.581048
C -0.454892 -1.899582 -2.834407
C -3.520496 -0.496111 0.207330
C -2.997647 2.517649 -0.384173
C -1.845663 -0.587918 1.962850
C -1.453588 2.162147 -2.215969
C -4.379041 -1.272062 0.990220
C -3.580544 3.578761 -1.080774
C -2.710404 -1.360603 2.742599
C -2.039184 3.224302 -2.911606
C -3.976322 -1.703894 2.258704
C -3.105332 3.931268 -2.348143
H 3.706188 0.989754 -1.212891
H 5.012048 -1.469076 1.137145
H 6.051577 0.329001 -1.670142
H 6.105301 -0.726383 -0.253951
H 5.042796 -1.124485 -1.607376
H 4.060810 2.357643 0.777756
H 5.609051 2.261224 -0.069535
H 5.347043 1.307535 1.398763
H 3.664018 -3.233106 2.226783
H 2.156324 -2.359725 1.967268
H 3.052129 -3.017523 0.582449
H 4.567377 0.431019 2.762180
H 4.521414 -1.149058 3.561785
H 3.016072 -0.301146 3.208893
H 2.605297 -1.764824 -1.357863
H -2.178919 -0.750937 -2.240356
H 1.422738 -2.909874 -3.189680
H -0.978235 -2.410793 -3.642792
H -0.055077 2.186410 0.475983
H -3.843842 -0.158244 -0.775993
H -3.361722 2.255016 0.612037
H -0.841856 -0.319582 2.335176
H -0.609943 1.632991 -2.661374
H -5.363275 -1.539655 0.612000
H -4.402844 4.134415 -0.632541
H -2.391655 -1.695514 3.728413
H -1.657462 3.503892 -3.892237
H -4.647670 -2.306607 2.866845
H -3.560219 4.758127 -2.891030


%chk=000290587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290587

0 1
S 1.924158 -0.608018 1.474891
O -1.287986 0.066057 1.936586
O 1.226104 0.768949 2.068757
O 2.451577 -1.697284 2.558808
N 3.351375 -0.230085 0.330247
C 2.964869 0.827259 -0.676622
C 4.686415 -0.098575 1.034758
C -1.456442 -0.047960 0.488845
C 0.754395 -1.534755 0.226581
C -0.606737 -1.244997 -0.066862
C 3.749243 0.538778 -1.977778
C 3.119374 2.293627 -0.209741
C 5.345821 -1.487747 1.165316
C 4.674296 0.663832 2.385202
C -2.973547 -0.328434 0.313968
C -1.068074 1.270169 -0.228091
C 1.451333 -2.645411 -0.292095
C -1.219068 -2.158935 -0.972139
C 0.799352 -3.522854 -1.181577
C -0.545664 -3.269243 -1.520374
C -3.723227 0.173427 -0.776393
C -1.261631 2.497515 0.454798
C -3.623700 -1.135024 1.282257
C -0.603391 1.298385 -1.566124
C -5.100046 -0.127550 -0.900750
C -0.984786 3.725012 -0.183271
C -4.996995 -1.435472 1.158598
C -0.328922 2.528792 -2.208641
C -5.741917 -0.935787 0.063894
C -0.516717 3.747340 -1.518693
H 1.892168 0.656017 -0.893841
H 5.280023 0.499860 0.314061
H 3.407135 1.227430 -2.771854
H 4.835029 0.695831 -1.842242
H 3.584922 -0.500030 -2.310712
H 2.522648 2.478487 0.698945
H 2.748102 2.966785 -1.003475
H 4.176530 2.552007 -0.013876
H 6.378177 -1.381921 1.548298
H 4.775380 -2.120075 1.865945
H 5.387908 -1.990299 0.182856
H 4.179889 1.645160 2.303022
H 5.716126 0.824780 2.717524
H 4.156070 0.074984 3.161085
H 2.492962 -2.814410 -0.004619
H -2.266542 -1.989913 -1.235283
H 1.334005 -4.387147 -1.587920
H -1.079325 -3.937210 -2.204926
H -0.361880 0.439737 2.137357
H -3.242175 0.813168 -1.523492
H -1.629039 2.472946 1.485673
H -3.045034 -1.493795 2.137674
H -0.462623 0.360304 -2.115939
H -5.668479 0.275332 -1.746768
H -1.136640 4.664962 0.359339
H -5.487392 -2.054817 1.918282
H 0.023616 2.532521 -3.246761
H -6.809198 -1.166534 -0.030354
H -0.306428 4.701731 -2.014653


