%chk=000184427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184427

0 1
S 5.433050 0.203425 -0.189643
O 6.308442 0.113290 -1.345533
O 5.688747 1.220166 0.816355
O -1.718347 2.181547 1.249797
O -0.981328 -1.600802 -1.431174
O -5.118994 0.796256 0.419563
N -3.750841 1.049284 0.293440
C 1.335811 0.701272 -0.002166
C 2.826793 0.730254 0.391499
C 3.754377 0.397592 -0.781766
C 0.482308 1.368672 1.083739
C 0.832863 -0.731014 -0.212914
C -0.999542 1.285106 0.798512
C -0.636459 -0.774605 -0.601068
C 3.766689 1.495515 -1.839935
C -1.546522 0.167862 0.047068
C 5.406204 -1.384345 0.600804
C -2.941027 0.011056 -0.075442
C 6.739663 -1.613172 1.295253
C -3.596517 -1.228123 -0.612795
C -3.743160 -2.277925 0.503040
C -4.344064 -3.572358 -0.034939
C -5.877179 1.519594 -0.626794
C -7.297304 1.096324 -0.315045
H 1.206631 1.272080 -0.957705
H 3.085049 1.739542 0.787076
H 2.994469 0.038719 1.240603
H 3.403414 -0.546096 -1.269108
H 0.766261 2.436235 1.208719
H 0.669615 0.910304 2.077999
H 0.966854 -1.340588 0.702765
H 1.425291 -1.242844 -0.999125
H 4.032620 2.476727 -1.421496
H 4.485774 1.277788 -2.646802
H 2.780564 1.606926 -2.310544
H 4.584881 -1.470112 1.337735
H 5.226525 -2.199107 -0.128692
H -4.591597 -1.006551 -1.050753
H -2.985353 -1.655949 -1.451989
H 6.753342 -2.574753 1.824484
H 6.954708 -0.830436 2.039950
H 7.577353 -1.627688 0.581174
H -2.749746 -2.484439 0.951025
H -4.378872 -1.872930 1.315872
H -3.446187 1.862633 0.878788
H -3.715015 -4.011319 -0.820450
H -4.442249 -4.321355 0.759605
H -5.340426 -3.414568 -0.462390
H -5.528574 1.191934 -1.619176
H -5.706806 2.601767 -0.501988
H -8.012675 1.581895 -0.990591
H -7.578042 1.359327 0.715377
H -7.426873 0.009283 -0.410218


%chk=000184427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184427

0 1
S 5.571988 0.458499 -0.141381
O 6.584283 0.367937 -1.430096
O 5.539256 1.813799 0.784482
O -1.901216 1.955421 1.140778
O -1.036606 -2.282330 -1.042449
O -5.239574 0.656408 0.146565
N -3.804578 0.742891 0.235305
C 1.255275 0.487193 -0.102203
C 2.754662 0.651233 0.264064
C 3.704809 0.072022 -0.787243
C 0.374616 1.175398 0.960668
C 0.820856 -0.987185 -0.210090
C -1.110996 1.006797 0.689550
C -0.682263 -1.196678 -0.469811
C 3.625132 0.651332 -2.196702
C -1.617397 -0.150269 -0.017509
C 6.026896 -1.026228 1.037426
C -3.057315 -0.264804 -0.247366
C 7.342305 -0.692699 1.735566
C -3.744509 -1.416224 -0.941068
C -4.073029 -2.578859 0.045089
C -4.773115 -3.743221 -0.684475
C -5.816711 2.035180 0.160417
C -7.331198 1.852704 0.121173
H 1.071594 0.985298 -1.075750
H 2.989847 1.725495 0.397632
H 2.930890 0.167236 1.246982
H 3.725469 -1.033471 -0.795001
H 0.580038 2.258433 1.029499
H 0.596654 0.746580 1.961355
H 1.066188 -1.510736 0.739817
H 1.349361 -1.529959 -1.014109
H 3.538466 1.751838 -2.174345
H 4.528770 0.389015 -2.775992
H 2.744566 0.239758 -2.723733
H 5.169115 -1.106621 1.725592
H 6.081943 -1.890784 0.356503
H -4.686376 -1.049755 -1.386727
H -3.079687 -1.814255 -1.721860
H 7.603264 -1.503857 2.439957
H 7.255546 0.249015 2.304586
H 8.163115 -0.588793 1.005664
H -3.129252 -2.937185 0.494574
H -4.716115 -2.198777 0.861978
H -3.232378 1.529867 0.777216
H -4.125364 -4.148299 -1.483341
H -5.004041 -4.566616 0.015761
H -5.722999 -3.414191 -1.146671
H -5.439487 2.589045 -0.720433
H -5.489832 2.550849 1.084955
H -7.822668 2.841950 0.133812
H -7.681520 1.279563 0.996188
H -7.642078 1.322335 -0.794794


