%chk=000220823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220823

0 1
S 0.130540 1.465001 -1.146054
O 4.624069 0.244707 -0.529862
N 0.830902 -1.054589 -0.079886
N 2.489954 0.580883 -0.510056
N 3.546543 -0.274139 -0.516695
C -1.713353 -1.059043 0.376576
C -1.209313 1.806972 0.109636
C -1.516149 -0.216994 1.650654
C -2.366989 -0.260208 -0.768839
C -0.415991 -1.838380 -0.036185
C -0.881803 1.167576 1.457656
C -2.492513 1.240262 -0.494138
C -1.230447 3.327288 0.182434
C -0.140555 -2.930077 1.025426
C -0.584550 -2.509598 -1.414370
C 1.130699 0.100440 -0.488201
H -2.448459 -1.864684 0.650049
H -0.907420 -0.791384 2.380390
H -2.509890 -0.087097 2.126505
H -3.375728 -0.672790 -0.966525
H -1.808261 -0.411685 -1.718962
H -1.245651 1.829814 2.273678
H 0.210879 1.118299 1.631820
H -2.759589 1.768466 -1.431375
H -3.335431 1.430954 0.202102
H -0.302047 3.736579 0.604003
H -1.362621 3.797399 -0.802323
H -2.055835 3.684222 0.812901
H -0.937467 -3.676605 1.052901
H 0.801891 -3.453878 0.810365
H -0.031393 -2.499543 2.028217
H -0.757405 -1.771905 -2.210220
H 0.316530 -3.073832 -1.690671
H -1.424456 -3.210261 -1.416248
H 2.621607 1.611230 -0.539401


%chk=000220823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220823

0 1
S 0.145674 1.455611 -1.260571
O 4.748456 0.200305 -0.589914
N 0.886106 -1.042700 0.037226
N 2.550506 0.512498 -0.540829
N 3.620285 -0.399585 -0.523284
C -1.709065 -1.070029 0.403470
C -1.246740 1.830011 0.087774
C -1.560132 -0.196407 1.682233
C -2.459858 -0.273275 -0.721116
C -0.372354 -1.827050 -0.003188
C -0.904042 1.195221 1.461568
C -2.565169 1.245348 -0.451576
C -1.272363 3.369323 0.160818
C -0.152544 -2.992527 1.003492
C -0.470240 -2.444772 -1.429630
C 1.190773 0.087997 -0.473600
H -2.373372 -1.911719 0.685191
H -0.999829 -0.743616 2.462094
H -2.578018 -0.040319 2.090555
H -3.480743 -0.682039 -0.843234
H -1.955742 -0.406068 -1.692269
H -1.284904 1.888385 2.239009
H 0.188688 1.150435 1.606528
H -2.864990 1.770081 -1.378397
H -3.351407 1.454745 0.304307
H -0.346474 3.763208 0.614908
H -1.386139 3.825131 -0.839086
H -2.130694 3.692346 0.782366
H -0.970571 -3.731884 0.927854
H 0.804305 -3.494283 0.783439
H -0.104374 -2.626898 2.043788
H -0.448397 -1.671652 -2.216147
H 0.384317 -3.122631 -1.598892
H -1.405411 -3.025616 -1.528439
H 2.764758 1.515825 -0.671147


