%chk=000195143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195143

0 1
O -0.792022 -0.167829 1.563551
O 0.835403 0.431598 0.012532
O -3.113191 1.780252 -1.349065
O -1.817683 2.602627 0.889145
O 0.882167 -2.023639 -1.027278
O 4.001191 0.511166 0.024113
O 4.247787 -2.102301 0.344920
O -5.430626 0.659180 -0.109879
O 3.246816 -0.816608 3.154150
N -3.834592 -0.929161 -0.470594
C -2.128906 0.892836 -0.819389
C -2.781170 -0.121988 0.172378
C -1.098019 1.756093 -0.025458
C -1.693186 -1.023941 0.804390
C -0.191446 0.921349 0.907312
C -1.479189 0.270596 -2.050572
C -2.218277 -1.977486 1.861429
C 1.808728 -0.477464 0.591005
C 2.112243 -1.422574 -0.592620
C 3.024635 0.334128 1.071799
C 3.023466 -2.614856 -0.198635
C -2.044699 3.944759 0.404056
C -5.138036 -0.434959 -0.567549
C 3.810516 -0.424001 2.161697
C 3.305252 -3.507181 -1.397137
C 3.712052 1.613361 -0.863814
H -3.257540 0.494123 0.998841
H -0.477626 2.354900 -0.727567
H -1.080358 -1.547260 0.030680
H 0.250291 1.501083 1.746232
H -1.326110 1.041020 -2.823262
H -2.117777 -0.489154 -2.512946
H -0.493900 -0.171174 -1.825609
H -3.547535 -1.779580 -0.939604
H -2.792392 -1.446749 2.635099
H -2.863118 -2.751958 1.434635
H -1.385320 -2.473957 2.382209
H 1.337405 -1.022963 1.448055
H -3.849936 1.937198 -0.692072
H 2.536897 -0.849433 -1.447572
H 2.697283 1.325315 1.458751
H 2.596383 -3.187954 0.656990
H -2.696210 4.362173 1.182544
H -2.555755 3.923123 -0.565959
H -1.099237 4.489598 0.349522
H -5.854519 -1.111158 -1.057685
H 3.847688 -2.985322 -2.192201
H 3.910808 -4.374481 -1.105397
H 2.364139 -3.878281 -1.830523
H 4.885588 -0.540304 1.965432
H 0.183321 -1.303543 -1.104884
H 4.682075 -1.475630 -0.285703
H 2.686519 1.545460 -1.245342
H 3.875936 2.559350 -0.339162
H 4.447285 1.478199 -1.665188


%chk=000195143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195143

0 1
O -0.904741 -0.359810 1.489147
O 0.785225 0.107980 -0.181969
O -3.158313 2.041557 -1.239947
O -1.669086 2.502901 1.089505
O 1.180041 -2.541505 -0.899691
O 3.961869 0.693165 -0.171098
O 4.658013 -1.857604 0.286640
O -5.577378 1.071349 -0.297098
O 3.355010 -0.891987 3.013498
N -4.085694 -0.709753 -0.509841
C -2.223971 0.992271 -0.809418
C -2.948161 -0.020078 0.138087
C -1.088483 1.671798 0.028097
C -1.962778 -1.065095 0.728803
C -0.177460 0.673715 0.778756
C -1.680581 0.361813 -2.103465
C -2.595245 -2.022090 1.743237
C 1.906387 -0.638115 0.474143
C 2.333350 -1.694563 -0.570045
C 3.032662 0.326082 0.909657
C 3.455820 -2.641342 -0.081509
C -1.785468 3.926753 0.737018
C -5.326509 -0.131932 -0.618761
C 3.877438 -0.278112 2.053596
C 3.810544 -3.702368 -1.131300
C 3.482133 1.772739 -1.048284
H -3.352731 0.577147 0.980300
H -0.459171 2.281994 -0.652674
H -1.491811 -1.643847 -0.096785
H 0.352790 1.208532 1.587993
H -1.369053 1.175225 -2.780702
H -2.477741 -0.205158 -2.614976
H -0.806285 -0.286200 -1.927117
H -3.958764 -1.665906 -0.849313
H -3.064993 -1.452748 2.563473
H -3.359947 -2.668277 1.278413
H -1.811581 -2.667776 2.173192
H 1.509924 -1.146848 1.375215
H -4.019658 1.978530 -0.725306
H 2.681302 -1.164464 -1.485386
H 2.567680 1.254160 1.315742
H 3.135606 -3.124860 0.858987
H -2.281520 4.401774 1.598259
H -2.390266 4.057772 -0.176715
H -0.781453 4.379714 0.594952
H -6.107824 -0.814353 -1.012816
H 4.138179 -3.228924 -2.076137
H 4.634210 -4.331866 -0.754178
H 2.934442 -4.336813 -1.346611
H 4.957662 -0.016212 2.006650
H 0.433134 -1.918541 -1.100803
H 4.743100 -1.064276 -0.317774
H 2.555148 1.481954 -1.575738
H 3.295221 2.692803 -0.459261
H 4.293276 1.956293 -1.769840


