%chk=000272041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272041

0 1
S -0.000201 -0.001436 2.387238
N -3.189618 -0.488624 -0.094201
N 3.190196 0.489096 -0.092298
N -0.774357 -0.841711 -0.077503
N 0.775060 0.841362 -0.076296
C -2.083943 -1.387920 0.365477
C 2.084217 1.387550 0.368006
C -0.576191 -0.513949 -1.532126
C 0.577749 0.514928 -1.531323
C -3.441708 0.624079 0.879246
C -4.438961 -1.266992 -0.381653
C 3.443011 -0.623830 0.880646
C 4.439083 1.268044 -0.379944
C -4.503703 1.581049 0.315386
C -5.510259 -0.330466 -0.965913
C 4.505086 -1.580242 0.316000
C 5.510482 0.332117 -0.964977
C -5.802833 0.835551 -0.013593
C 5.803825 -0.834173 -0.013230
C 0.000251 -0.000620 0.716228
H -2.046338 -1.533194 1.476546
H -2.185101 -2.394421 -0.109459
H 2.046045 1.531220 1.479271
H 2.185188 2.394766 -0.105409
H -1.505004 -0.100789 -1.982054
H -0.313990 -1.445765 -2.070179
H 1.506837 0.102196 -1.981073
H 0.315848 1.447226 -2.068685
H -2.484707 1.173157 1.029771
H -3.754505 0.251113 1.878606
H -4.838289 -1.777229 0.521785
H -4.191895 -2.055694 -1.124678
H 2.486191 -1.173191 1.031336
H 3.756103 -0.251083 1.879989
H 4.838576 1.778083 0.523531
H 4.191412 2.056936 -1.122562
H -4.111473 2.069783 -0.598440
H -4.694285 2.390034 1.044286
H -6.431931 -0.904457 -1.171117
H -5.161591 0.065023 -1.940764
H 4.112645 -2.068766 -0.597848
H 4.696242 -2.389437 1.044515
H 6.431878 0.906505 -1.170307
H 5.161579 -0.063110 -1.939849
H -6.272567 0.461113 0.915616
H -6.534370 1.526888 -0.470814
H 6.273808 -0.459934 0.915933
H 6.535412 -1.525086 -0.471016


%chk=000272041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272041

0 1
S -0.000366 -0.001398 2.360487
N -3.371734 -0.476595 -0.122133
N 3.372239 0.476948 -0.120689
N -0.943032 -0.603984 -0.183890
N 0.943489 0.603085 -0.183010
C -2.169508 -1.247952 0.272492
C 2.169492 1.247272 0.274350
C -0.699903 -0.338262 -1.621474
C 0.701021 0.338457 -1.620903
C -3.541858 0.766072 0.679875
C -4.605293 -1.302476 -0.135228
C 3.543163 -0.766115 0.680534
C 4.605245 1.303657 -0.133215
C -4.689850 1.624359 0.114131
C -5.789557 -0.503477 -0.719070
C 4.691753 -1.623279 0.114287
C 5.790030 0.505819 -0.717576
C -6.004217 0.811707 0.066111
C 6.005578 -0.809707 0.066782
C 0.000210 -0.001020 0.637549
H -2.059228 -1.369080 1.374816
H -2.250817 -2.251285 -0.191910
H 2.058853 1.367322 1.376756
H 2.250397 2.251075 -0.189105
H -1.496546 0.315238 -2.021079
H -0.710413 -1.282267 -2.197044
H 1.497879 -0.314710 -2.020624
H 0.711747 1.282899 -2.195754
H -2.589225 1.324789 0.664486
H -3.753957 0.519625 1.751406
H -4.877116 -1.647853 0.896988
H -4.417377 -2.206175 -0.746512
H 2.590903 -1.325450 0.664766
H 3.755063 -0.520202 1.752226
H 4.876833 1.648529 0.899231
H 4.416736 2.207632 -0.743905
H -4.422061 1.955649 -0.908346
H -4.812811 2.529606 0.738995
H -6.703081 -1.128539 -0.692808
H -5.571864 -0.269068 -1.779309
H 4.424204 -1.954122 -0.908399
H 4.815315 -2.528829 0.738594
H 6.703136 1.131474 -0.690936
H 5.572474 0.271924 -1.777958
H -6.324040 0.572082 1.101560
H -6.815681 1.407587 -0.393066
H 6.325231 -0.570511 1.102383
H 6.817449 -1.404751 -0.392761


