%chk=000295680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295680

0 1
S 4.708118 -1.921608 -0.176939
O -0.840183 2.007125 0.914010
N -1.103242 0.074934 -0.406541
N -0.297068 -1.091320 -0.662019
N 2.143504 -1.484872 -0.514310
N 3.347024 0.164952 0.853301
C 1.013141 0.471201 0.470423
C 1.020203 -0.748283 -0.286664
C -0.345871 1.012297 0.456774
C -2.520862 -0.157922 -0.232382
C 2.217494 0.894657 1.041475
C -3.343794 0.982985 -0.163857
C -3.075201 -1.447643 -0.191832
C 3.262776 -0.977725 0.090751
C -4.725607 0.818027 -0.070516
C -4.463124 -1.587818 -0.105453
C -5.289868 -0.462635 -0.047677
C 5.990730 -1.021625 0.703630
H -0.466043 -1.509989 -1.586721
H 2.294342 1.809120 1.644753
H -2.903606 1.983613 -0.169186
H -2.445234 -2.335105 -0.207553
H -5.368230 1.697134 -0.014843
H -4.899846 -2.586098 -0.077223
H -6.369386 -0.580939 0.020168
H 5.772925 -0.932072 1.777848
H 6.122153 -0.000518 0.317639
H 6.933554 -1.570673 0.579146


%chk=000295680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295680

0 1
S 4.743796 -2.021213 -0.175209
O -0.793767 2.079382 1.057043
N -1.126187 -0.063601 0.016470
N -0.297072 -1.179977 -0.305951
N 2.099823 -1.602582 -0.272926
N 3.421465 0.191213 0.773959
C 1.032881 0.451552 0.589215
C 1.011397 -0.840368 -0.018767
C -0.334921 0.987304 0.619676
C -2.541576 -0.183045 -0.081087
C 2.294351 0.931124 0.986112
C -3.348868 0.986187 -0.041138
C -3.143505 -1.461251 -0.232964
C 3.269291 -1.026499 0.149898
C -4.747271 0.861221 -0.163481
C -4.544580 -1.562061 -0.365281
C -5.354830 -0.404861 -0.334688
C 6.087498 -0.909702 0.530040
H -0.581919 -1.802843 -1.064882
H 2.420141 1.905709 1.467953
H -2.878665 1.961135 0.100497
H -2.540217 -2.374417 -0.201304
H -5.364992 1.765115 -0.128850
H -5.001705 -2.551064 -0.478701
H -6.441829 -0.488719 -0.435002
H 5.913863 -0.750380 1.602662
H 6.086276 0.054849 0.004992
H 7.029922 -1.453009 0.357916


