%chk=000212117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212117

0 1
O -1.241420 -3.057829 -0.371393
O -0.795167 0.029356 3.214586
O 3.567524 -2.368622 1.377441
N -1.914813 -0.856364 0.018515
N -1.862332 0.037839 1.138413
C -0.642942 -1.944676 1.745418
C 0.875867 -2.142425 1.723383
C -1.277728 -2.113689 0.369367
C -1.031698 -0.536896 2.182369
C 1.605510 -1.120549 0.847715
C -3.128455 -0.840219 -0.781559
C -1.806256 1.459618 0.846643
C 3.092202 -1.422778 0.782216
C -3.082530 -1.528913 -2.008208
C -1.981687 2.335155 1.935038
C -4.284500 -0.147894 -0.387766
C -1.624854 1.957517 -0.453663
C 3.939937 -0.524094 -0.050702
C -4.203538 -1.509770 -2.839108
C -1.979728 3.711555 1.706380
C -5.392168 -0.136127 -1.238952
C -1.634530 3.339162 -0.660215
C 3.473445 0.676429 -0.606870
C 5.274257 -0.909760 -0.274234
C -5.356437 -0.812619 -2.461974
C -1.810451 4.217601 0.412914
C 4.320107 1.473293 -1.376439
C 6.122719 -0.117621 -1.045157
C 5.651096 1.081627 -1.604559
C 6.559310 1.941749 -2.418352
H -1.094271 -2.695448 2.448232
H 1.271032 -2.094204 2.762461
H 1.107170 -3.172948 1.368767
H 1.188075 -1.117520 -0.181703
H 1.455414 -0.093537 1.242347
H -2.188760 -2.085614 -2.298714
H -2.104717 1.943222 2.947735
H -4.326652 0.377338 0.566655
H -1.485576 1.283241 -1.298748
H -4.176404 -2.044363 -3.788789
H -2.112724 4.394803 2.545554
H -6.291234 0.403401 -0.941208
H -1.502300 3.731242 -1.668548
H 2.446231 1.002973 -0.440865
H 5.637816 -1.843160 0.169018
H -6.224517 -0.799913 -3.118039
H -1.815675 5.292460 0.243464
H 3.948272 2.403976 -1.800543
H 7.152441 -0.429272 -1.210516
H 7.326754 1.359330 -2.946991
H 6.019856 2.523500 -3.178237
H 7.089023 2.662836 -1.776079


%chk=000212117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212117

0 1
O -1.303671 -3.128472 -0.364677
O -0.567804 0.123310 3.158843
O 3.654846 -2.493978 1.340496
N -2.017759 -0.910017 0.080562
N -1.806081 0.057940 1.136827
C -0.616875 -1.919782 1.715162
C 0.915198 -2.168882 1.701501
C -1.300563 -2.102874 0.359574
C -0.980269 -0.499234 2.149036
C 1.677404 -1.173787 0.808142
C -3.189431 -0.832439 -0.752940
C -1.905963 1.467326 0.857257
C 3.177597 -1.487770 0.735796
C -3.163635 -1.463270 -2.022100
C -2.136618 2.359191 1.934336
C -4.355908 -0.163220 -0.305029
C -1.744097 1.959308 -0.462650
C 4.061446 -0.583893 -0.071180
C -4.317465 -1.427301 -2.834051
C -2.193384 3.746575 1.681774
C -5.494707 -0.123884 -1.136465
C -1.820241 3.348007 -0.699076
C 3.575726 0.571758 -0.738553
C 5.445475 -0.896711 -0.172786
C -5.483857 -0.755450 -2.401605
C -2.041432 4.248301 0.368661
C 4.451094 1.388047 -1.484985
C 6.312298 -0.080491 -0.918648
C 5.831594 1.078774 -1.589261
C 6.775700 1.957564 -2.388176
H -1.071391 -2.651730 2.411765
H 1.291147 -2.102250 2.736830
H 1.095226 -3.201119 1.354927
H 1.271763 -1.184826 -0.224953
H 1.548845 -0.139334 1.185706
H -2.264842 -1.988986 -2.350953
H -2.248677 1.970510 2.948612
H -4.373402 0.316167 0.677664
H -1.567508 1.267939 -1.291361
H -4.299069 -1.923264 -3.810456
H -2.363522 4.434756 2.516691
H -6.393568 0.397270 -0.789674
H -1.703404 3.725003 -1.720942
H 2.517010 0.845174 -0.677088
H 5.809558 -1.789732 0.346321
H -6.372280 -0.724072 -3.041151
H -2.097177 5.325490 0.179371
H 4.061335 2.278414 -1.992290
H 7.376491 -0.337191 -0.987251
H 7.293932 1.376973 -3.174171
H 6.241628 2.789600 -2.877261
H 7.559281 2.392960 -1.739619


