%chk=000217084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217084

0 1
S -1.742820 0.080304 -1.831832
S 1.126906 0.483710 0.488553
S 4.031697 -0.264482 1.056655
P -2.183735 -0.255982 0.185459
O -3.579254 0.528005 0.496830
O -2.610061 -1.839153 0.209421
O -1.065535 0.192759 1.064339
N 1.861966 0.907644 -1.957107
N 2.977291 0.506690 -1.321253
C -0.532632 1.460537 -1.651539
C -4.786924 0.202585 -0.248843
C -1.594111 -2.781736 0.677737
C 0.774094 0.972900 -1.192847
C -5.380616 -1.116432 0.199099
C -0.649841 -3.150492 -0.447006
C 2.793199 0.257199 -0.021123
C 5.508985 -0.382555 -0.014312
C 6.637829 -0.827370 0.887202
H -0.930767 2.267224 -0.997614
H -0.452658 1.904166 -2.676531
H -5.424237 1.066291 0.042229
H -4.593084 0.244249 -1.336743
H -1.070864 -2.379931 1.567472
H -2.240114 -3.632833 0.978707
H -5.424979 -1.183379 1.295831
H -4.796298 -1.986310 -0.143332
H -6.401919 -1.241914 -0.180448
H 0.157764 -2.418606 -0.592075
H -1.179058 -3.237807 -1.407516
H -0.165195 -4.116951 -0.256213
H 5.709259 0.598669 -0.488814
H 5.320849 -1.096239 -0.840140
H 6.834396 -0.112586 1.699019
H 6.447910 -1.806611 1.348606
H 7.573359 -0.922062 0.316028


%chk=000217084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217084

0 1
S -1.555261 0.276216 -1.439170
S 1.478910 0.177429 0.944631
S 4.508221 -0.659212 0.926541
P -2.634089 -0.182379 0.575002
O -4.263812 0.332059 0.426087
O -2.824113 -1.900157 0.597850
O -1.876274 0.480183 1.808033
N 1.970768 1.416347 -1.378312
N 3.204406 0.855590 -0.999498
C -0.414206 1.654951 -0.721167
C -5.057464 0.112328 -0.822734
C -1.715915 -2.756684 1.141561
C 0.979969 1.176455 -0.522332
C -5.695531 -1.276802 -0.861774
C -0.877136 -3.348495 0.008677
C 3.130726 0.183590 0.155554
C 5.875159 -0.244725 -0.346963
C 7.173394 -0.921428 0.104525
H -0.876698 1.984792 0.223382
H -0.431679 2.458692 -1.471749
H -5.815948 0.910435 -0.765745
H -4.407586 0.300033 -1.700628
H -1.106967 -2.160403 1.846766
H -2.254204 -3.536871 1.705348
H -6.328805 -1.438766 0.026733
H -4.929774 -2.069881 -0.891542
H -6.331929 -1.361274 -1.763147
H -0.328571 -2.565187 -0.540825
H -1.516413 -3.897227 -0.703999
H -0.140455 -4.058894 0.429171
H 5.951098 0.852783 -0.382337
H 5.517194 -0.606103 -1.322952
H 7.501275 -0.561079 1.095560
H 7.068724 -2.019835 0.148357
H 7.973786 -0.686980 -0.621003


