%chk=000299356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299356

0 1
O 4.320631 -1.609892 1.150908
O -3.021273 -2.517399 0.019573
O -7.370918 2.092921 -0.138824
N 0.930282 -1.070178 -0.088297
C 3.800711 -0.559408 0.300662
C 2.712017 0.212161 1.073136
C 3.241366 -1.192128 -0.988941
C 1.427540 -0.608083 1.248364
C 1.937271 -1.963896 -0.748195
C 5.002741 0.327939 0.006040
C -0.397101 -1.754758 0.034960
C -1.500034 -0.683014 0.004715
C 4.854018 1.460071 -0.809558
C 6.259997 0.023374 0.544275
C -2.876355 -1.309076 -0.006292
C 5.954139 2.277004 -1.081799
C 7.358623 0.843096 0.269767
C 7.208196 1.970440 -0.542930
C -4.052575 -0.399766 -0.041983
C -3.940946 1.000579 -0.144356
C -5.329598 -0.984866 0.025742
C -5.072720 1.802029 -0.174132
C -6.484902 -0.204393 -0.000951
C -6.343531 1.187098 -0.100815
C -8.729664 1.590127 -0.075311
H 2.476891 1.152813 0.536015
H 3.107901 0.509333 2.063527
H 4.002954 -1.867028 -1.425601
H 3.062364 -0.397409 -1.741076
H 1.602213 -1.445794 1.958734
H 0.642472 0.034565 1.704440
H 1.519732 -2.285630 -1.728729
H 2.141134 -2.890304 -0.168458
H -0.497266 -2.377538 0.950077
H -0.550068 -2.450532 -0.821276
H 3.616343 -2.241731 1.385254
H -1.397444 0.001227 0.870677
H -1.357632 -0.041905 -0.892840
H 3.881894 1.706837 -1.234109
H 6.374175 -0.859645 1.179497
H 5.834234 3.153829 -1.715101
H 8.332596 0.600680 0.690970
H 8.063647 2.607870 -0.756265
H -2.957889 1.471793 -0.204110
H -5.406920 -2.076342 0.100335
H -5.007878 2.884971 -0.253450
H -7.460060 -0.675972 0.053533
H -8.898414 1.072014 0.873027
H -8.937426 0.948836 -0.936671
H -9.313170 2.519282 -0.126059


%chk=000299356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299356

0 1
O 4.205556 -1.470263 1.409847
O -3.017571 -2.505831 -0.448578
O -7.577154 2.029614 0.204314
N 0.953971 -1.006104 -0.223623
C 3.843392 -0.506587 0.340553
C 2.702385 0.422024 0.848896
C 3.342183 -1.284972 -0.909970
C 1.371184 -0.334550 1.031322
C 1.988804 -1.977261 -0.657865
C 5.116453 0.290089 0.034644
C -0.382087 -1.648645 -0.125581
C -1.523083 -0.620470 -0.044923
C 5.097351 1.307122 -0.955541
C 6.326241 0.033486 0.725110
C -2.905223 -1.262577 -0.214631
C 6.260688 2.051360 -1.248964
C 7.491363 0.778776 0.431614
C 7.465370 1.790189 -0.555101
C -4.117070 -0.392567 -0.103161
C -4.045854 1.013563 0.118853
C -5.398980 -0.991610 -0.226378
C -5.211220 1.788408 0.214867
C -6.577711 -0.230612 -0.130890
C -6.483334 1.169600 0.091723
C -8.921950 1.452957 0.084244
H 2.546106 1.237907 0.120390
H 3.016773 0.874050 1.807458
H 4.105616 -2.033695 -1.190459
H 3.225698 -0.582889 -1.755071
H 1.460250 -1.078164 1.872911
H 0.591671 0.385482 1.336695
H 1.647034 -2.463704 -1.589504
H 2.113180 -2.802572 0.099119
H -0.446727 -2.349608 0.743979
H -0.535069 -2.265212 -1.028783
H 3.410941 -2.026324 1.612167
H -1.506153 -0.070944 0.916895
H -1.372245 0.140574 -0.837591
H 4.173017 1.524878 -1.504959
H 6.336629 -0.750907 1.485582
H 6.227486 2.832764 -2.016859
H 8.420028 0.568093 0.974710
H 8.369302 2.367063 -0.781639
H -3.075087 1.510720 0.213824
H -5.442668 -2.072275 -0.399553
H -5.170481 2.868553 0.383309
H -7.549651 -0.723011 -0.229023
H -9.109281 0.706671 0.879638
H -9.069994 0.987700 -0.908878
H -9.607781 2.303916 0.202960


