%chk=000196100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196100

0 1
S -0.041399 2.808963 0.525787
S 3.872496 -2.925692 0.224017
S 10.145163 1.671543 -0.302274
O 0.245244 2.505084 2.159274
O 1.261970 2.897802 -0.086078
O -0.911460 3.958192 0.545491
O 3.252074 -3.103884 -1.335944
O 4.957638 -3.872721 0.262382
O 2.753126 -3.049717 1.114301
O -4.923954 -1.890236 -0.720605
N -4.419487 0.256763 -0.045823
N 7.728192 0.362743 -0.108041
C -0.193926 0.233929 -0.350682
C -0.880288 1.377457 0.075588
C -2.995989 0.209146 -0.150095
C 3.579835 -0.209429 0.170467
C -2.275826 1.373075 0.174760
C -0.917780 -0.933297 -0.658925
C 1.270901 0.271922 -0.506666
C 4.453218 -1.304580 0.152358
C -2.303078 -0.952781 -0.562048
C 2.121546 -0.375852 0.296109
C 4.104171 1.101275 0.088440
C 5.836588 -1.113036 0.056288
C 6.340567 0.194537 -0.017865
C 5.471298 1.311979 -0.003779
C -5.310128 -0.802464 -0.347767
C -6.746259 -0.431129 -0.142485
C -7.499514 -1.149994 0.794930
C -7.337632 0.584812 -0.904816
C -8.849170 -0.836690 0.980097
C -8.688587 0.888632 -0.717345
C -9.442355 0.181294 0.226148
C 8.722149 1.028257 -0.192561
H -2.800935 2.278412 0.498670
H 1.622360 0.914456 -1.329063
H -0.379027 -1.831891 -0.973709
H -2.860169 -1.870347 -0.804567
H 1.779241 -1.037818 1.108679
H 3.409494 1.958117 0.099372
H 6.524695 -1.970744 0.040907
H -4.813370 1.138823 0.294281
H 5.873103 2.325900 -0.066017
H 0.235726 3.276628 2.745301
H -7.036014 -1.954185 1.369185
H -6.754197 1.126641 -1.649294
H 3.418970 -3.959730 -1.761293
H -9.439764 -1.391380 1.709041
H -9.155916 1.674846 -1.309678
H -10.496043 0.421569 0.370550


%chk=000196100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196100

0 1
S -0.374212 3.418293 0.238360
S 3.888591 -3.077948 -0.009989
S 10.702610 0.519888 -0.158027
O 0.232148 3.370153 1.997866
O 0.917923 3.639146 -0.712720
O -1.619566 4.447135 0.126984
O 3.222567 -3.098865 -1.750911
O 5.143180 -4.092963 0.100441
O 2.632325 -3.255500 0.994862
O -4.850553 -2.051296 0.118837
N -4.459257 0.262914 0.137330
N 7.885789 0.210049 -0.130184
C -0.155049 0.533566 0.185820
C -1.033018 1.648898 0.221178
C -3.046935 0.302548 0.157923
C 3.638503 -0.197603 -0.093776
C -2.428462 1.578989 0.211408
C -0.823564 -0.730379 0.150083
C 1.304663 0.659899 0.212236
C 4.533453 -1.301894 -0.090076
C -2.219774 -0.858293 0.135676
C 2.180189 -0.343179 -0.111306
C 4.281119 1.082155 -0.120111
C 5.928657 -1.218077 -0.102869
C 6.520121 0.073381 -0.116724
C 5.674308 1.221742 -0.128201
C -5.296114 -0.864850 0.081383
C -6.768215 -0.566038 -0.005612
C -7.659706 -1.597466 0.388295
C -7.296630 0.662810 -0.486020
C -9.053371 -1.396869 0.329219
C -8.692978 0.860151 -0.548877
C -9.574215 -0.165465 -0.134758
C 9.087208 0.342632 -0.142087
H -3.014747 2.505572 0.231300
H 1.699721 1.632064 0.523346
H -0.218084 -1.641895 0.171027
H -2.692878 -1.841326 0.120950
H 1.793328 -1.319566 -0.418443
H 3.660003 1.981328 -0.174931
H 6.544399 -2.122864 -0.093219
H -4.927462 1.169494 0.201796
H 6.130707 2.215572 -0.158382
H 0.563195 4.286849 2.229453
H -7.234742 -2.546303 0.731090
H -6.639243 1.458095 -0.860308
H 2.904101 -4.029101 -1.942335
H -9.732944 -2.196633 0.641904
H -9.092240 1.805729 -0.930728
H -10.657353 -0.009477 -0.183167


