%chk=000221083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221083

0 1
S 2.876928 -0.025247 -1.336716
O 3.414765 -0.827582 -2.415911
O 3.085771 1.394232 -1.326682
N 1.161858 -0.360260 -1.562233
N -1.162030 -0.151774 -1.107480
N 0.522051 0.829582 0.378644
N -1.875548 1.072520 0.851456
N -0.238888 1.961399 2.316961
C 3.273586 -0.737390 0.171587
C 0.150850 0.120414 -0.749875
C 3.635630 -2.090716 0.224242
C 3.252441 0.029285 1.341487
C -3.553898 0.073138 -0.627239
C -2.139535 0.339488 -0.278778
C 3.969876 -2.676318 1.446054
C 3.588241 -0.557529 2.566745
C 3.943299 -1.908266 2.617731
C -4.571097 0.316661 0.313240
C -3.885186 -0.424578 -1.900400
C -0.536380 1.286811 1.148461
C -5.903279 0.063089 -0.019830
C -5.220305 -0.674119 -2.225197
C -6.229043 -0.431370 -1.287192
H 0.852697 -0.878003 -2.406530
H 3.665938 -2.688046 -0.694458
H 2.970567 1.088614 1.298092
H 4.251172 -3.727552 1.488817
H 3.569957 0.037922 3.477835
H 4.202371 -2.367873 3.572925
H -4.316644 0.706441 1.302678
H -3.096011 -0.616994 -2.633017
H -6.688974 0.252187 0.709653
H -5.474220 -1.058781 -3.211672
H -7.269520 -0.627364 -1.543945
H 0.697879 2.309843 2.455959
H -0.985618 2.438137 2.804289


%chk=000221083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221083

0 1
S 2.794574 -0.012623 -1.312227
O 3.344942 -0.875876 -2.575410
O 3.015369 1.586483 -1.227234
N 1.000648 -0.451708 -1.384547
N -1.275791 -0.134404 -1.051629
N 0.348833 0.782976 0.522979
N -2.048889 1.089126 0.890845
N -0.466437 1.999313 2.353235
C 3.403072 -0.815436 0.283536
C -0.001647 0.100914 -0.604850
C 3.836771 -2.147588 0.202329
C 3.453021 -0.029273 1.443553
C -3.679408 0.125983 -0.660999
C -2.274068 0.369676 -0.252554
C 4.342706 -2.735149 1.385102
C 3.968612 -0.636300 2.611673
C 4.405113 -1.982320 2.581615
C -4.749694 0.626352 0.127475
C -3.963347 -0.610612 -1.841710
C -0.727890 1.272087 1.224179
C -6.084456 0.390851 -0.260042
C -5.299560 -0.843485 -2.226254
C -6.363884 -0.344378 -1.437365
H 0.740545 -0.883325 -2.279631
H 3.800123 -2.690807 -0.747262
H 3.103675 1.006419 1.421091
H 4.691522 -3.772623 1.367169
H 4.029890 -0.059276 3.540105
H 4.802567 -2.444232 3.491827
H -4.509948 1.192692 1.032160
H -3.125617 -0.986549 -2.436234
H -6.906808 0.778738 0.351191
H -5.513657 -1.411550 -3.138203
H -7.402086 -0.525997 -1.737838
H 0.497147 2.184477 2.618481
H -1.246245 2.377426 2.885144


