%chk=000201665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201665

0 1
O -2.260970 -1.147715 0.235651
O -1.221144 1.120611 2.335076
O 3.443293 1.300913 -0.641532
N -1.258188 2.191029 0.326180
N 3.295204 -0.978687 -0.387308
C -0.922910 2.256886 -1.119205
C -1.965218 3.360558 0.917391
C -0.218723 -0.039722 0.500735
C -0.946295 1.106574 1.144008
C -0.892841 -1.215624 0.103893
C 1.163599 0.036609 0.352953
C 1.873090 -1.047858 -0.197787
C 0.425238 2.932842 -1.363244
C -3.468535 3.302069 0.648983
C -0.186907 -2.311748 -0.412616
C 1.196620 -2.224465 -0.566639
C -3.039985 -2.369062 0.118747
C 4.000603 0.219614 -0.616743
C -3.215850 -2.755264 -1.317152
C 5.478267 0.032257 -0.817216
C -3.723039 -3.923911 -1.699236
H -1.731260 2.812644 -1.646386
H -0.919794 1.228892 -1.547846
H -1.526629 4.294439 0.504967
H -1.778661 3.365191 2.020456
H 1.695859 0.947897 0.655847
H 0.489482 3.913598 -0.879652
H 1.267894 2.335749 -0.975942
H 0.606400 3.076590 -2.433587
H -3.699645 3.317293 -0.420886
H -3.905277 2.382458 1.063153
H -3.982397 4.148631 1.116847
H -0.704879 -3.222047 -0.705756
H 1.741350 -3.071450 -0.980996
H 3.787275 -1.869588 -0.406111
H -3.996576 -2.032137 0.576232
H -2.591676 -3.159492 0.745499
H -2.907748 -1.984568 -2.029235
H 5.711376 -0.579053 -1.698414
H 5.967014 -0.423284 0.054385
H 5.958699 1.013800 -0.973754
H -3.868049 -4.192391 -2.737005
H -4.038069 -4.700878 -1.017057


%chk=000201665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201665

0 1
O -2.381536 -1.174097 0.168233
O -1.447771 1.031149 2.214684
O 3.702639 1.288613 -0.245865
N -1.211383 2.308710 0.280915
N 3.245946 -1.004144 -0.477679
C -0.887508 2.451841 -1.157257
C -1.892760 3.445712 0.946389
C -0.305654 -0.004486 0.344917
C -1.046540 1.139901 1.011196
C -0.986348 -1.209771 0.017200
C 1.092585 0.076477 0.184913
C 1.829634 -1.036223 -0.295965
C 0.374369 3.300094 -1.430170
C -3.430142 3.358429 0.829210
C -0.254136 -2.327626 -0.449785
C 1.144425 -2.237545 -0.602398
C -3.140238 -2.442294 0.120703
C 4.096827 0.100633 -0.452333
C -3.441113 -2.892454 -1.293405
C 5.570551 -0.222703 -0.693446
C -3.387290 -4.179199 -1.717150
H -1.763788 2.911063 -1.657967
H -0.762077 1.444660 -1.588793
H -1.516554 4.382163 0.494998
H -1.604025 3.431393 2.011089
H 1.623880 0.994329 0.440905
H 0.294618 4.301941 -0.970251
H 1.281061 2.810768 -1.034989
H 0.506099 3.438996 -2.519529
H -3.755519 3.341434 -0.227447
H -3.791042 2.441303 1.324001
H -3.903105 4.229669 1.318884
H -0.764616 -3.251196 -0.732417
H 1.698605 -3.107640 -0.977493
H 3.681148 -1.906182 -0.681335
H -4.076941 -2.182969 0.646089
H -2.618254 -3.228477 0.701023
H -3.759839 -2.093220 -1.977575
H 5.772900 -1.292014 -0.880221
H 6.155486 0.099672 0.185361
H 5.929134 0.364242 -1.556422
H -3.668677 -4.457850 -2.738337
H -3.073055 -4.994903 -1.052782


