%chk=000269709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269709

0 1
S -0.677453 3.326990 1.056727
N -1.242210 0.810335 0.640565
N -3.553709 -1.040488 0.554418
C -2.441828 1.031705 1.501593
C -1.109252 -0.557983 0.072714
C -3.159318 -0.298165 1.783243
C -2.458424 -1.062355 -0.472482
C 1.994382 1.063093 0.333342
C 0.818050 1.617553 -0.486605
C 3.214022 0.796356 -0.557288
C -0.386772 1.828083 0.381284
C 4.389856 0.246150 0.261327
C 5.611657 -0.025199 -0.626713
C -4.863128 -0.789376 0.015977
C 6.787594 -0.575569 0.191569
C 8.009245 -0.847899 -0.696087
C 9.186662 -1.397989 0.121282
C -5.239285 -1.449280 -1.176275
C -5.817506 -0.004520 0.695308
C 10.405624 -1.670681 -0.757182
C -6.538658 -1.317637 -1.664767
C -7.113751 0.112361 0.192408
C -7.481899 -0.536814 -0.989042
H -2.130607 1.515487 2.460924
H -3.125021 1.756534 0.994112
H -0.354207 -0.568774 -0.748211
H -0.725491 -1.242439 0.865811
H -4.049862 -0.111052 2.427555
H -2.505625 -0.983350 2.373309
H -2.344713 -2.124233 -0.794543
H -2.735434 -0.469215 -1.374648
H 1.695576 0.137004 0.859359
H 2.259705 1.790716 1.130141
H 0.595598 0.953779 -1.348694
H 1.115922 2.591838 -0.943851
H 3.518801 1.732092 -1.066998
H 2.951655 0.085648 -1.363786
H 4.659276 0.963951 1.061073
H 4.088398 -0.683489 0.780952
H 5.916754 0.906344 -1.142008
H 5.344981 -0.739667 -1.428986
H 7.056793 0.140812 0.991880
H 6.484139 -1.505556 0.709679
H 7.742973 -1.563402 -1.497478
H 8.315048 0.081697 -1.213670
H 8.883462 -2.329028 0.638889
H 9.456254 -0.681375 0.921784
H -4.534337 -2.083106 -1.706577
H -5.555773 0.512494 1.616728
H 11.240528 -2.062250 -0.165333
H 10.184107 -2.406268 -1.538676
H 10.756164 -0.759543 -1.255318
H -6.821029 -1.832596 -2.583090
H -7.843078 0.721297 0.726893
H -8.491454 -0.437718 -1.378137


%chk=000269709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269709

0 1
S -0.389317 4.094982 1.325371
N -1.240548 1.682840 0.410349
N -3.577512 -0.067829 0.129535
C -2.477617 1.891293 1.209847
C -1.207101 0.426998 -0.379207
C -3.256745 0.579972 1.413517
C -2.597753 0.100352 -0.956171
C 1.989224 1.384049 0.345325
C 1.025094 2.367089 -0.377090
C 3.301546 1.168896 -0.440585
C -0.249604 2.637928 0.413933
C 4.291649 0.227095 0.281625
C 5.593984 -0.013934 -0.514351
C -4.730181 -0.851743 -0.044735
C 6.592238 -0.942963 0.213220
C 7.887738 -1.198143 -0.589346
C 8.889020 -2.121608 0.142082
C -5.146772 -1.262342 -1.349977
C -5.522748 -1.266771 1.071007
C 10.178551 -2.375660 -0.668108
C -6.301967 -2.051500 -1.522038
C -6.680290 -2.047848 0.879737
C -7.084059 -2.451650 -0.414111
H -2.189369 2.325704 2.184151
H -3.110488 2.648038 0.705769
H -0.490931 0.526736 -1.208462
H -0.868429 -0.415034 0.258017
H -4.195661 0.842820 1.933383
H -2.689237 -0.098069 2.089223
H -2.513474 -0.843911 -1.529044
H -2.898970 0.897033 -1.671740
H 1.494353 0.405182 0.508674
H 2.215816 1.795493 1.348224
H 0.805547 1.988267 -1.396929
H 1.532950 3.336851 -0.500478
H 3.789047 2.150687 -0.612516
H 3.069434 0.755993 -1.445211
H 4.542164 0.652963 1.275356
H 3.796969 -0.747690 0.477057
H 6.084253 0.960722 -0.719392
H 5.343297 -0.449479 -1.504528
H 6.852411 -0.501044 1.197924
H 6.098586 -1.913764 0.429781
H 7.629300 -1.645723 -1.572156
H 8.380869 -0.228270 -0.810529
H 8.394720 -3.089142 0.366273
H 9.148979 -1.671896 1.122242
H -4.588395 -0.942342 -2.235330
H -5.224062 -1.006403 2.091181
H 10.876666 -3.037515 -0.123092
H 9.948626 -2.853273 -1.639437
H 10.707496 -1.426916 -0.878988
H -6.598332 -2.345657 -2.535842
H -7.265145 -2.353333 1.755396
H -7.982422 -3.061228 -0.554405


