%chk=000218099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218099

0 1
S 4.151552 0.778364 -1.777328
O -5.300877 -0.412361 0.962931
O -7.956070 -1.634929 1.056253
N -1.370816 -1.240735 -0.093667
N 2.341842 -0.020574 0.602919
C -4.270610 -0.938934 0.083081
C -3.365878 0.214925 -0.370647
C -3.506114 -1.913073 0.988241
C -2.093409 -0.325405 -1.038258
C -2.231757 -2.407655 0.290688
C -0.074126 -1.703196 -0.692226
C 0.910066 -2.078198 0.428277
C 1.313556 -0.864865 1.280543
C -6.458388 0.142715 0.318148
C 1.909640 1.070911 -0.198343
C 3.696100 -0.460814 0.643837
C 2.703624 1.592748 -1.239343
C 4.635351 -0.093496 -0.340692
C -7.417470 -0.978250 -0.096933
C 0.673610 1.697965 0.075331
C 4.143039 -1.253928 1.725557
C 0.276068 2.831992 -0.638888
C 2.319198 2.738917 -1.934823
C 5.974601 -0.466999 -0.243071
C 1.106642 3.362345 -1.641860
C 5.479398 -1.642775 1.808185
C 6.401417 -1.251585 0.832381
C -1.025848 3.494027 -0.321149
H -4.742512 -1.455484 -0.777002
H -3.899678 0.891128 -1.059610
H -3.098016 0.825967 0.516857
H -3.248769 -1.396704 1.937565
H -4.149771 -2.764464 1.272410
H -2.347288 -0.813153 -2.003699
H -1.411307 0.525008 -1.272047
H -1.649330 -3.041010 0.996138
H -2.497821 -3.051513 -0.575715
H -0.196529 -2.561978 -1.386079
H 0.365944 -0.876532 -1.296614
H 0.460587 -2.844953 1.089896
H 1.807985 -2.549326 -0.020191
H 1.710799 -1.199682 2.266272
H 0.408519 -0.244075 1.505959
H -6.892014 0.762139 1.130211
H -6.173480 0.787829 -0.527191
H -8.315473 -0.592007 -0.614376
H -6.920642 -1.736266 -0.729501
H 0.020285 1.289052 0.851064
H 3.446161 -1.555527 2.507169
H 2.962542 3.147259 -2.717483
H 6.690534 -0.155110 -1.006133
H 0.808030 4.253616 -2.185556
H 5.807352 -2.254884 2.648497
H 7.442831 -1.552877 0.908651
H -1.492458 3.942961 -1.207621
H -0.875786 4.303838 0.409883
H -1.756015 2.799267 0.116016
H -7.223420 -1.841456 1.683886


%chk=000218099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218099

0 1
S 2.844363 0.417165 -2.333494
O -5.166912 -0.155784 0.212033
O -7.843216 -1.112110 0.408343
N -1.182359 -1.654231 0.182206
N 2.012475 -0.012362 0.580757
C -4.031700 -1.042051 -0.143495
C -2.937095 -0.276560 -0.914453
C -3.470585 -1.589227 1.176998
C -1.697505 -1.173541 -1.122516
C -2.204914 -2.433852 0.918486
C 0.128797 -2.344067 0.090841
C 0.976593 -2.163849 1.371641
C 1.241665 -0.668386 1.664100
C -6.127873 0.089865 -0.885193
C 1.553670 1.228417 0.036497
C 3.333603 -0.469763 0.291802
C 1.906021 1.603939 -1.290541
C 3.900201 -0.279547 -1.000325
C -7.187047 -1.023118 -0.898346
C 0.758800 2.128069 0.793408
C 4.129862 -1.118248 1.275634
C 0.283676 3.347062 0.248186
C 1.479925 2.830455 -1.830974
C 5.215964 -0.688062 -1.292154
C 0.654113 3.693128 -1.073569
C 5.434898 -1.563174 0.973369
C 5.989122 -1.346756 -0.307841
C -0.586477 4.269007 1.086123
H -4.400740 -1.888492 -0.767766
H -3.311887 0.069728 -1.896896
H -2.647060 0.612553 -0.324717
H -3.219243 -0.733599 1.830667
H -4.236687 -2.199984 1.690117
H -1.964750 -2.027575 -1.800941
H -0.900157 -0.594053 -1.621191
H -1.779841 -2.764322 1.883453
H -2.486494 -3.362146 0.351838
H 0.009869 -3.434257 -0.124841
H 0.689486 -1.906241 -0.755517
H 0.454269 -2.593674 2.249482
H 1.923038 -2.724278 1.256323
H 1.727714 -0.539004 2.653561
H 0.253026 -0.184746 1.701249
H -6.600604 1.054922 -0.633331
H -5.615119 0.178789 -1.864583
H -7.982627 -0.796621 -1.629701
H -6.722628 -1.995892 -1.172684
H 0.510030 1.885555 1.831972
H 3.731481 -1.270300 2.283036
H 1.778260 3.102366 -2.849195
H 5.625106 -0.506833 -2.291835
H 0.307421 4.636186 -1.510249
H 6.021952 -2.068661 1.748127
H 7.004298 -1.683017 -0.541715
H -0.864166 5.178129 0.525942
H -0.064234 4.588664 2.007676
H -1.521347 3.767069 1.399517
H -7.120830 -1.014482 1.085482


