%chk=000270341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270341

0 1
S 1.699537 0.199533 1.772185
S -1.301154 -0.387322 1.297898
O 2.383493 1.134132 2.646622
O 2.153435 -1.166592 1.718992
O -2.179391 -1.149551 2.159254
O -0.749274 -1.009235 0.114420
N 1.635800 0.910055 0.202224
N -2.127465 1.071121 0.878784
C 0.009285 0.225759 2.302168
C 2.508780 2.111444 0.031057
C 1.804998 -0.050485 -0.931695
C -3.607451 1.031639 1.074442
C -1.764956 1.655146 -0.445913
C 3.991827 1.754834 -0.166852
C 3.267511 -0.469281 -1.143043
C -4.347492 0.311834 -0.065646
C -2.447967 0.935558 -1.620849
C 4.176812 0.753688 -1.314574
C -3.969634 0.897295 -1.432635
H -0.230138 1.272120 2.620437
H -0.038631 -0.308924 3.285703
H 2.390131 2.780958 0.913986
H 2.128639 2.671114 -0.852998
H 1.404316 0.439676 -1.846337
H 1.157946 -0.948197 -0.754010
H -3.958777 2.085368 1.154042
H -3.834538 0.543152 2.051040
H -0.657965 1.635580 -0.568362
H -2.062552 2.728342 -0.427870
H 4.409493 1.340014 0.773752
H 4.572536 2.675002 -0.364546
H 3.341344 -1.130535 -2.026223
H 3.608000 -1.087405 -0.283869
H -5.439395 0.387953 0.094231
H -4.121415 -0.773516 -0.041113
H -2.046969 -0.098501 -1.708183
H -2.190731 1.437984 -2.570636
H 3.962354 1.247725 -2.281737
H 5.234323 0.431084 -1.363424
H -4.432657 0.296581 -2.238639
H -4.387106 1.917755 -1.532484


%chk=000270341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270341

0 1
S 1.799659 0.102649 1.846660
S -1.416612 -0.489954 1.386551
O 2.591006 1.136970 2.841301
O 2.203076 -1.470650 1.783401
O -2.434986 -1.215846 2.435257
O -0.779365 -1.329016 0.141574
N 1.646027 0.906759 0.090815
N -2.231823 1.203703 0.886240
C -0.007755 0.243553 2.496592
C 2.537829 2.112836 0.028320
C 1.929502 -0.124280 -0.965503
C -3.716427 1.097795 1.048572
C -1.786492 1.604752 -0.488720
C 4.036862 1.813835 -0.195024
C 3.423649 -0.434315 -1.199312
C -4.456570 0.382084 -0.103008
C -2.513454 0.895377 -1.655001
C 4.244101 0.861037 -1.394140
C -4.047981 0.962813 -1.476359
H -0.225966 1.314799 2.590114
H -0.035168 -0.329953 3.435681
H 2.388875 2.700074 0.950669
H 2.130863 2.702350 -0.819904
H 1.476455 0.308981 -1.882710
H 1.350845 -1.029076 -0.716488
H -4.053013 2.152442 1.129571
H -3.915130 0.605861 2.016468
H -0.691028 1.465727 -0.541308
H -1.985488 2.697056 -0.523551
H 4.452906 1.364628 0.727287
H 4.568676 2.770999 -0.356507
H 3.509955 -1.090411 -2.086330
H 3.810743 -1.007437 -0.335378
H -5.546763 0.484342 0.057390
H -4.226134 -0.700714 -0.064091
H -2.181888 -0.158892 -1.697932
H -2.210086 1.376071 -2.605092
H 3.925970 1.366689 -2.330084
H 5.317207 0.620932 -1.508960
H -4.551994 0.409964 -2.290386
H -4.385183 2.018368 -1.547073


