%chk=000189849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189849

0 1
S 0.198194 3.802237 0.015704
S 0.254623 -2.094022 -0.619406
O -2.970240 3.662460 1.499889
O -1.077330 0.761101 -2.038576
O 1.069249 1.411623 0.684787
O -2.029236 -3.174665 0.098011
N -1.958621 1.618649 1.324491
N -2.665548 -0.488814 -0.969161
C -3.231908 0.932990 1.017630
C -3.424159 0.689004 -0.493430
C -1.940603 3.010258 1.454317
C -1.483059 -0.334572 -1.680167
C -0.571857 3.624420 1.636845
C -0.764634 -1.620150 -2.029247
C 1.932426 2.314466 -1.393860
C -0.162004 -3.703832 1.521931
C 1.129758 2.264514 -0.156137
C -0.860367 -3.097854 0.374647
C 3.333664 2.290190 -1.301181
C -0.863544 -3.822512 2.735897
C 1.301176 2.385278 -2.642751
C 1.160929 -4.160966 1.426218
C 4.101226 2.352306 -2.465075
C -0.235198 -4.378280 3.850694
C 2.079902 2.441630 -3.803490
C 1.781216 -4.721032 2.547198
C 3.474461 2.430128 -3.715377
C 1.088114 -4.825623 3.757096
H -3.260872 -0.022872 1.585727
H -4.080097 1.560659 1.393864
H -4.502822 0.528237 -0.716383
H -3.109547 1.594838 -1.072622
H -1.100753 1.098681 1.120651
H -2.952671 -1.402560 -0.606376
H 0.068434 3.038734 2.330206
H -0.672538 4.639774 2.082575
H -0.085833 -1.447081 -2.895717
H -1.455661 -2.433544 -2.332634
H 3.816394 2.223192 -0.326159
H -1.898633 -3.480076 2.798492
H 0.205421 2.371520 -2.711279
H 1.711966 -4.096635 0.485038
H 5.187898 2.339394 -2.400744
H -0.775324 -4.465417 4.793089
H 1.592926 2.495756 -4.776333
H 2.809333 -5.075423 2.475740
H 4.077654 2.480216 -4.621425
H 1.578296 -5.258725 4.629796


%chk=000189849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189849

0 1
S -0.055557 4.225447 -0.426941
S 0.575400 -1.819984 -0.576050
O -3.356822 3.960743 1.176769
O -1.340670 1.047789 -2.050995
O 0.775265 1.865596 0.676192
O -1.746185 -3.060884 0.159454
N -2.086244 2.004464 1.326744
N -2.560629 -0.394754 -0.665670
C -3.250132 1.116913 1.242487
C -3.531891 0.603549 -0.195282
C -2.231304 3.375638 1.241051
C -1.541861 -0.099711 -1.546838
C -0.912791 4.157114 1.262336
C -0.661186 -1.303085 -1.920896
C 1.737980 2.314732 -1.504188
C 0.154042 -3.683622 1.529016
C 0.865694 2.614611 -0.337229
C -0.513865 -2.946314 0.421193
C 2.738291 1.317174 -1.344309
C -0.646536 -4.562741 2.310899
C 1.590580 2.967119 -2.755845
C 1.534734 -3.538063 1.832369
C 3.592751 0.993976 -2.417424
C -0.073153 -5.284521 3.375881
C 2.445868 2.639056 -3.827012
C 2.102866 -4.259574 2.901496
C 3.450917 1.656387 -3.660507
C 1.302393 -5.134421 3.674413
H -3.107148 0.260483 1.927928
H -4.127328 1.696664 1.580952
H -4.542645 0.152965 -0.217349
H -3.513626 1.455375 -0.895557
H -1.132154 1.621526 1.287839
H -2.616903 -1.364789 -0.323320
H -0.183186 3.719922 1.964476
H -1.121730 5.206796 1.512469
H -0.030751 -1.026592 -2.777598
H -1.263965 -2.198966 -2.147143
H 2.827888 0.813072 -0.376521
H -1.708258 -4.663468 2.064066
H 0.791195 3.701335 -2.900884
H 2.163683 -2.865158 1.239205
H 4.367693 0.230644 -2.287667
H -0.693343 -5.961150 3.973220
H 2.323349 3.138678 -4.793742
H 3.166523 -4.142381 3.133353
H 4.114863 1.405056 -4.495255
H 1.748089 -5.695046 4.503416


