%chk=000289257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289257

0 1
O 1.952692 -1.692566 0.091967
O -2.172030 -2.802135 2.547521
O 3.603291 -2.439972 -1.254280
N -2.637071 -0.883958 -1.064192
N -2.278298 0.961601 1.487546
C -3.502744 0.763843 0.644771
C -3.655572 -0.648293 0.002335
C -3.444315 1.879721 -0.464528
C -3.631853 1.300753 -1.872242
C -2.654660 0.148986 -2.152139
C -3.678860 -1.774258 1.035246
C -1.422103 -1.505022 -0.727960
C -2.087324 2.511340 -0.268359
C -1.247660 -2.165565 0.459640
C -1.425754 1.892403 0.832478
C -0.327822 -1.492324 -1.768614
C -2.311178 -2.292453 1.451302
C 0.041158 -2.828743 0.851009
C 0.571797 -2.725151 -1.651043
C 1.117089 -2.870346 -0.232449
C -1.468872 3.530373 -0.968584
C -0.139573 2.274160 1.212309
C -0.173270 3.925666 -0.585028
C 0.474558 3.304816 0.484092
C 3.194284 -1.595933 -0.484506
C 3.890501 -0.368675 -0.027635
C 5.221774 -0.172138 -0.429435
C 3.248586 0.576375 0.786228
C 5.907850 0.970225 -0.012473
C 3.942244 1.715869 1.201018
C 5.269135 1.911810 0.802711
H -4.378725 0.939208 1.318874
H -4.656790 -0.659565 -0.520247
H -4.241313 2.634074 -0.266425
H -3.474079 2.096908 -2.627939
H -4.679221 0.967857 -2.008959
H -2.941268 -0.373834 -3.092927
H -1.639926 0.586448 -2.299530
H -4.243675 -2.644916 0.633001
H -4.244225 -1.464989 1.939563
H -1.843490 0.116946 1.855582
H -0.731681 -1.442826 -2.799294
H 0.290188 -0.575234 -1.618537
H 0.450136 -2.301858 1.747497
H -0.172132 -3.863741 1.200841
H 0.007795 -3.641816 -1.918670
H 1.412532 -2.657208 -2.373883
H 1.777509 -3.761136 -0.139924
H -1.965226 4.022122 -1.801488
H 0.362612 1.804458 2.051657
H 0.323419 4.724613 -1.129426
H 1.478796 3.623767 0.762968
H 5.708754 -0.916698 -1.065157
H 2.210012 0.412555 1.089019
H 6.940575 1.126519 -0.320722
H 3.450288 2.448768 1.838559
H 5.808533 2.801067 1.129258


%chk=000289257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289257

0 1
O 1.927903 -1.632666 0.047751
O -2.201319 -2.675276 2.637800
O 3.810858 -2.688268 -0.845228
N -2.559583 -0.785252 -1.047614
N -2.477452 0.945447 1.505252
C -3.631324 0.753070 0.603699
C -3.678856 -0.648615 -0.077845
C -3.465868 1.897702 -0.480339
C -3.575145 1.334310 -1.921111
C -2.567116 0.189133 -2.174994
C -3.721286 -1.823934 0.917407
C -1.435262 -1.544797 -0.752870
C -2.110116 2.522431 -0.144211
C -1.269857 -2.228184 0.459348
C -1.593443 1.917392 1.038125
C -0.343049 -1.592784 -1.813682
C -2.339754 -2.248222 1.437318
C 0.015204 -2.950911 0.836775
C 0.578520 -2.817268 -1.641282
C 1.130982 -2.888305 -0.210130
C -1.405354 3.550766 -0.784057
C -0.363387 2.343182 1.592243
C -0.166474 3.990948 -0.240567
C 0.335261 3.387871 0.936842
C 3.271875 -1.670127 -0.337629
C 3.975739 -0.381402 -0.069940
C 5.373647 -0.328830 -0.313184
C 3.293192 0.771464 0.398332
C 6.086311 0.865111 -0.083194
C 4.011795 1.965512 0.620616
C 5.405964 2.015216 0.384660
H -4.584608 0.870467 1.159975
H -4.625184 -0.673825 -0.655819
H -4.265491 2.651086 -0.343859
H -3.370142 2.135881 -2.654715
H -4.611378 0.996662 -2.112548
H -2.810033 -0.315052 -3.133445
H -1.559159 0.629847 -2.274751
H -4.160377 -2.711190 0.419112
H -4.375182 -1.577976 1.773238
H -2.273510 0.313796 2.277689
H -0.793025 -1.607851 -2.823189
H 0.269527 -0.670604 -1.751158
H 0.392429 -2.554959 1.797910
H -0.215078 -4.016394 1.038524
H 0.010373 -3.748016 -1.834427
H 1.410810 -2.777202 -2.365706
H 1.831816 -3.734763 -0.105019
H -1.805644 4.024785 -1.689216
H 0.035850 1.888583 2.505342
H 0.392241 4.797634 -0.726000
H 1.280080 3.744466 1.364800
H 5.874939 -1.230884 -0.679376
H 2.214604 0.727923 0.576069
H 7.165426 0.902309 -0.267419
H 3.484555 2.857765 0.974300
H 5.958951 2.944696 0.561794


