%chk=000270130.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270130

0 1
S -4.062505 1.192840 0.040620
O -4.330315 1.313109 1.463584
O -4.702430 2.091954 -0.902914
O 4.026461 1.323283 -0.516694
O 2.717580 0.815695 1.308287
O 5.187928 -2.773417 -0.454221
O 3.500096 -1.393161 -0.929044
N -4.518990 -0.376568 -0.485599
N 1.811753 1.323052 -0.823897
C -4.662103 -1.472364 0.514645
C -4.697937 -2.827358 -0.228459
C -5.901345 -1.308900 1.422194
C -6.024574 -3.074037 -0.957683
C -7.216581 -1.546858 0.674949
C -7.225798 -2.917203 -0.015947
C -2.354271 1.220875 -0.194945
C -1.827392 1.435873 -1.473788
C -1.493954 1.037364 0.893813
C -0.449696 1.460320 -1.676914
C -0.112119 1.056089 0.717373
C 0.409052 1.267885 -0.571945
C 2.794866 1.082856 0.138740
C 5.202444 0.862536 0.080034
C 5.539067 -0.503989 0.060957
C 6.067406 1.843561 0.577486
C 6.798940 -0.873561 0.571784
C 7.310551 1.445487 1.070623
C 7.673504 0.091110 1.069734
C 4.620006 -1.516729 -0.482128
H -3.744666 -1.449385 1.163343
H -4.522119 -3.635212 0.507652
H -3.858571 -2.877956 -0.949042
H -5.899699 -0.299090 1.888441
H -5.818609 -2.018559 2.267491
H -6.022266 -4.088685 -1.399191
H -6.122167 -2.375295 -1.810690
H -8.064699 -1.475096 1.382504
H -7.381029 -0.745150 -0.070132
H -7.210547 -3.719473 0.746602
H -8.167549 -3.049598 -0.580156
H -5.255982 -0.418913 -1.204513
H -2.499808 1.595323 -2.325210
H -1.907428 0.885970 1.899938
H -0.051708 1.625889 -2.675444
H 0.553319 0.904870 1.574036
H 2.124907 1.444073 -1.796254
H 5.760849 2.889517 0.573223
H 7.080953 -1.932497 0.569834
H 8.001496 2.194080 1.464367
H 8.644809 -0.209188 1.463296
H 4.570368 -3.468766 -0.813940


%chk=000270130-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270130

0 1
S -4.175856 1.342827 0.271111
O -4.379484 1.386116 1.893837
O -4.876888 2.434683 -0.716311
O 4.061421 1.283382 -0.650615
O 2.827573 0.834256 1.325825
O 5.003433 -2.887067 0.216014
O 3.405116 -1.452044 -0.644672
N -4.688156 -0.304334 -0.457562
N 1.811207 1.332838 -0.760983
C -4.782054 -1.429030 0.530591
C -4.617658 -2.753951 -0.264248
C -6.095039 -1.434632 1.360887
C -5.859351 -3.075412 -1.129958
C -7.333496 -1.757719 0.490196
C -7.152795 -3.089383 -0.278845
C -2.324284 1.325967 -0.029762
C -1.858352 1.534179 -1.339117
C -1.468975 1.135443 1.066094
C -0.468949 1.533982 -1.552337
C -0.075965 1.131507 0.849216
C 0.427256 1.325081 -0.465885
C 2.855162 1.093268 0.108113
C 5.285255 0.825488 -0.104350
C 5.547582 -0.552170 0.153273
C 6.275714 1.803985 0.106076
C 6.831262 -0.907203 0.652149
C 7.546362 1.426851 0.588616
C 7.822412 0.067743 0.870236
C 4.542030 -1.607456 -0.133267
H -3.919306 -1.314960 1.214846
H -4.463881 -3.569641 0.471669
H -3.709055 -2.688776 -0.889306
H -6.205182 -0.464668 1.879037
H -5.995791 -2.211113 2.146562
H -5.719688 -4.053005 -1.629452
H -5.954732 -2.322397 -1.939102
H -8.234305 -1.800456 1.131271
H -7.518970 -0.935955 -0.235297
H -7.096825 -3.922913 0.452022
H -8.032602 -3.284584 -0.921776
H -5.597088 -0.081944 -0.910824
H -2.559181 1.702505 -2.162041
H -1.886498 1.010543 2.070456
H -0.076612 1.692404 -2.563819
H 0.616950 0.976476 1.678303
H 2.088717 1.453266 -1.737540
H 6.031214 2.848723 -0.106026
H 7.031021 -1.962261 0.854780
H 8.312504 2.191949 0.752504
H 8.804200 -0.227347 1.253460
H 4.290123 -3.546432 0.002747


