%chk=000232074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232074

0 1
S 4.764018 0.290392 0.201989
O 5.067730 1.599969 0.751678
O 5.401482 -0.891937 0.757218
O -1.831885 1.856716 0.602420
N -1.140354 -0.256192 -0.034801
N 5.291470 0.331143 -1.441819
C 3.067262 0.101671 0.111523
C 2.463676 -1.095552 -0.315774
C 0.271067 -0.092102 0.024508
C 1.065471 -1.191103 -0.358859
C 2.259642 1.188538 0.490143
C 0.875566 1.108469 0.451608
C 3.284832 -2.266249 -0.731152
C -2.120651 0.728336 0.274710
C -3.519384 0.210982 0.131457
C -4.363285 0.800671 -0.818538
C -3.988255 -0.812789 0.964952
C -5.680524 0.349786 -0.943644
C -5.307861 -1.254379 0.837302
C -6.151691 -0.676228 -0.117808
H 0.605984 -2.117903 -0.690836
H 2.734087 2.121986 0.828578
H 0.261733 1.965575 0.749341
H 3.797097 -2.076550 -1.688833
H 4.082483 -2.498331 0.007059
H 2.701548 -3.186708 -0.856534
H -1.472797 -1.175236 -0.346710
H 5.472811 1.240939 -1.859614
H 6.040241 -0.304382 -1.708556
H -3.995794 1.611895 -1.449340
H -3.334394 -1.253665 1.717760
H -6.341525 0.803782 -1.681636
H -5.680658 -2.046771 1.485699
H -7.180642 -1.023372 -0.215091


%chk=000232074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232074

0 1
S 4.900962 0.396469 0.190255
O 5.156048 1.971740 0.522775
O 5.598618 -0.763943 1.093908
O -1.927372 1.978013 0.152563
N -1.143753 -0.223461 -0.083313
N 5.462239 0.009810 -1.536789
C 3.036823 0.155035 0.059489
C 2.485790 -1.126000 -0.193321
C 0.259676 -0.033414 -0.030569
C 1.075287 -1.182939 -0.231387
C 2.267026 1.311744 0.263006
C 0.862980 1.229327 0.217135
C 3.321641 -2.367920 -0.421319
C -2.158927 0.736157 0.042913
C -3.562368 0.189309 0.016106
C -4.598624 1.084422 -0.355140
C -3.893455 -1.144414 0.377451
C -5.938445 0.648470 -0.392840
C -5.236840 -1.577918 0.344835
C -6.261227 -0.685581 -0.047728
H 0.602521 -2.154768 -0.425082
H 2.768370 2.264694 0.461825
H 0.237886 2.110870 0.361405
H 4.013057 -2.213619 -1.269763
H 3.947537 -2.591518 0.460359
H 2.681146 -3.238516 -0.637723
H -1.450586 -1.179365 -0.275997
H 5.448656 0.883107 -2.092262
H 6.415145 -0.386705 -1.452644
H -4.328114 2.116195 -0.601568
H -3.124773 -1.841639 0.734567
H -6.730356 1.345380 -0.687140
H -5.485242 -2.603762 0.637359
H -7.302822 -1.023858 -0.072966


