%chk=000218930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218930

0 1
S -2.114263 -1.652626 -1.206509
P -2.469333 0.379092 -0.780124
O -2.888138 0.369249 0.822654
O -1.286934 1.258519 -0.951346
N 1.458090 -1.922227 0.872047
C 0.001719 -1.839869 0.568757
C -0.308722 -1.807308 -0.928904
C 2.269493 -0.796933 0.507110
C 2.032611 -3.264595 0.579241
C 1.683210 0.458834 0.253388
C 3.677400 -0.912071 0.495374
C 2.480442 1.574767 -0.022661
C -3.977365 0.705922 -1.807780
C 4.460784 0.213544 0.235686
C 3.880717 1.454021 -0.030580
C 1.824470 2.885799 -0.310591
C -4.050226 -0.353314 1.286095
C -5.274196 0.546263 1.255618
H -0.387674 -0.929584 1.090231
H -0.501855 -2.704340 1.057688
H -0.008099 -2.746208 -1.432172
H 0.239859 -0.984829 -1.441023
H 1.332650 -4.052219 0.898760
H 2.956373 -3.395007 1.171919
H 2.278692 -3.420930 -0.482248
H 0.599030 0.596864 0.264652
H 4.160939 -1.860377 0.703737
H -4.455667 1.649934 -1.508136
H -3.703407 0.812740 -2.869674
H -4.725334 -0.092577 -1.744312
H 5.546411 0.117183 0.237145
H 4.502638 2.317207 -0.240593
H -4.198376 -1.301595 0.740184
H -3.744877 -0.586274 2.330416
H 2.344415 3.450239 -1.092838
H 0.777895 2.751657 -0.644035
H 1.792086 3.513810 0.590024
H -6.006751 0.242922 2.014514
H -4.993754 1.586939 1.481092
H -5.789057 0.546180 0.290094


%chk=000218930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218930

0 1
S -2.450538 -1.928989 -1.460061
P -2.820838 0.342199 -1.204837
O -4.015327 0.457074 0.050679
O -1.445883 1.135436 -0.973803
N 1.378117 -2.049828 0.283052
C -0.083309 -1.987200 0.166723
C -0.548923 -1.885483 -1.304801
C 2.165478 -0.878263 0.338078
C 2.018073 -3.366984 0.377965
C 1.587139 0.414045 0.137225
C 3.567527 -0.957597 0.594790
C 2.367332 1.589528 0.206870
C -3.873085 0.879605 -2.634443
C 4.342696 0.219956 0.657405
C 3.759840 1.490710 0.470231
C 1.708273 2.944087 -0.005758
C -3.617031 0.161067 1.455807
C -4.890095 0.253730 2.291879
H -0.472862 -1.118711 0.730355
H -0.522635 -2.893230 0.624110
H -0.206673 -2.746681 -1.903772
H -0.195310 -0.950652 -1.768686
H 1.260589 -4.153760 0.227158
H 2.488927 -3.532118 1.370227
H 2.802593 -3.499040 -0.393838
H 0.525282 0.527074 -0.106943
H 4.054438 -1.924061 0.753693
H -4.160078 1.931998 -2.483726
H -3.288307 0.773091 -3.560043
H -4.770764 0.245635 -2.680783
H 5.418011 0.136781 0.857056
H 4.374952 2.397077 0.518179
H -3.175095 -0.854690 1.495569
H -2.859074 0.900111 1.776508
H 2.273234 3.555435 -0.734160
H 0.674832 2.830719 -0.375788
H 1.669564 3.520546 0.939212
H -4.657194 0.048656 3.353159
H -5.330459 1.262632 2.220290
H -5.637525 -0.481104 1.948121


