%chk=000270923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270923

0 1
S 2.582809 -0.877216 0.684449
O -3.076086 0.476822 1.350182
O 0.085305 4.131371 -1.043794
O 5.674638 0.367861 1.000326
N -0.068271 -0.132590 0.878330
N 1.291478 1.438729 -0.087653
N -2.756206 2.428459 0.227530
N -1.870819 3.481852 -0.111322
N 4.358094 2.089594 0.311998
C -0.855122 0.976139 0.571266
C -0.561020 -1.387878 1.486281
C 0.004064 1.931736 -0.023219
C 1.227202 0.188548 0.459375
C -1.019126 -2.354966 0.421024
C -2.277226 1.218796 0.806636
C -0.501324 3.233377 -0.484875
C -0.129689 -3.298867 -0.110034
C -2.347865 -2.310409 -0.025627
C 3.829424 -0.203795 -0.424612
C -0.572244 -4.196862 -1.085726
C -2.783351 -3.210614 -1.000942
C -1.897108 -4.154022 -1.531755
C 4.697998 0.746375 0.376763
H -1.414239 -1.136194 2.174070
H 0.238504 -1.832127 2.125881
H -3.653528 2.782343 0.603163
H -2.349153 4.217154 -0.662311
H 0.904682 -3.336990 0.230147
H -3.041769 -1.572127 0.389714
H 4.449672 -1.056372 -0.788336
H 3.392481 0.262862 -1.332837
H 0.118122 -4.930997 -1.499086
H -3.815699 -3.176459 -1.347382
H -2.238889 -4.855111 -2.291995
H 4.856394 2.751206 0.890128
H 3.476068 2.411970 -0.071654


%chk=000270923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270923

0 1
S 2.571532 -0.977716 0.753136
O -3.123253 0.515654 1.367419
O 0.347046 4.198956 -0.939699
O 5.921756 0.697746 0.617314
N -0.095371 -0.111690 0.885750
N 1.329968 1.417065 -0.037446
N -2.627832 2.563324 0.380643
N -1.743127 3.500981 -0.200544
N 4.080797 2.122383 0.361594
C -0.851577 1.023002 0.572272
C -0.606070 -1.398190 1.458562
C 0.044222 1.947267 0.001636
C 1.215535 0.176096 0.497763
C -1.053396 -2.401567 0.398592
C -2.264868 1.285602 0.822197
C -0.366725 3.288744 -0.430002
C -0.162059 -3.393780 -0.082786
C -2.381063 -2.358101 -0.100124
C 3.885913 -0.199238 -0.394654
C -0.586614 -4.321346 -1.060510
C -2.803166 -3.285732 -1.078074
C -1.907270 -4.267263 -1.562780
C 4.724309 0.914616 0.258002
H -1.450342 -1.125431 2.111863
H 0.206639 -1.812288 2.080385
H -3.596434 2.861369 0.518792
H -2.140816 4.404770 -0.466925
H 0.862231 -3.439928 0.304405
H -3.074337 -1.603349 0.288961
H 4.547083 -1.044165 -0.635465
H 3.347934 0.147323 -1.291544
H 0.108445 -5.085544 -1.425579
H -3.831096 -3.248315 -1.455555
H -2.236975 -4.988307 -2.319204
H 4.585195 2.908171 0.771389
H 3.081988 2.200478 0.094319


