%chk=000257126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257126

0 1
O 4.603671 -0.140169 1.963751
O 4.625032 -1.411390 0.138306
O 1.564891 -1.715865 0.968832
N 0.364275 0.131150 0.247801
N -1.979256 0.319693 -0.115243
N -1.098358 -1.722052 0.771635
C 2.809625 0.295485 0.416063
C 2.824035 1.406449 1.492125
C 2.922350 0.864089 -1.010445
C 3.818235 0.932434 2.559580
C 2.923298 -0.220882 -2.094632
C 4.059624 -0.551596 0.750836
C 1.540333 -0.553878 0.574450
C 3.111927 0.391079 -3.489183
C 3.120762 -0.683733 -4.574030
C -0.864824 -0.417090 0.307819
C -1.963727 1.657729 -0.645046
C -2.370576 -2.345267 1.008009
C -2.995845 1.982285 -1.550920
C -2.553660 -3.661803 0.545708
C -1.032250 2.628211 -0.246344
C -3.386224 -1.685904 1.720678
C -3.082565 3.282674 -2.048136
C -3.765788 -4.307277 0.793911
C -1.136664 3.922746 -0.761315
C -4.594621 -2.347975 1.952017
C -2.156506 4.255892 -1.657246
C -4.789108 -3.652731 1.489197
H 3.136268 2.373633 1.056677
H 1.819562 1.589203 1.916232
H 3.844399 1.473542 -1.089041
H 2.070423 1.557948 -1.182391
H 4.558516 1.692366 2.854994
H 3.336967 0.493138 3.449261
H 3.727908 -0.962492 -1.895010
H 1.977160 -0.794858 -2.062051
H 4.060054 0.962806 -3.525391
H 2.305256 1.122055 -3.693614
H 3.267338 -0.244794 -5.566692
H 3.926916 -1.409942 -4.412892
H 2.179014 -1.243578 -4.595689
H -2.865062 -0.186893 -0.232647
H -0.244243 -2.303642 0.976153
H -3.716077 1.233584 -1.871748
H -1.758882 -4.173320 0.002795
H -0.226201 2.377944 0.446176
H -3.227884 -0.684323 2.119086
H -3.876892 3.538545 -2.749333
H -3.914611 -5.328671 0.441028
H -0.413158 4.679166 -0.456931
H -5.386739 -1.843062 2.506085
H -2.229159 5.267181 -2.051358
H -5.732959 -4.162644 1.675323


%chk=000257126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257126

0 1
O 4.413936 -0.615114 2.210771
O 4.688331 -1.554157 0.114130
O 1.539074 -1.777619 1.069743
N 0.460458 0.140416 0.150008
N -1.873457 0.303803 -0.271560
N -1.033895 -1.616778 0.815071
C 2.896466 0.188437 0.493087
C 2.952015 1.213247 1.671245
C 3.103881 0.865315 -0.890205
C 3.487492 0.369695 2.845691
C 2.970849 -0.064953 -2.116147
C 4.061625 -0.779843 0.850871
C 1.558941 -0.577852 0.582511
C 3.199033 0.695433 -3.442176
C 3.071039 -0.217930 -4.680350
C -0.788448 -0.379325 0.241377
C -1.974671 1.597522 -0.863040
C -2.288056 -2.243597 1.085484
C -3.274712 1.992227 -1.285601
C -2.421326 -3.630027 0.808774
C -0.880538 2.484217 -1.038452
C -3.371825 -1.541474 1.682741
C -3.479123 3.257110 -1.871309
C -3.625303 -4.299641 1.111788
C -1.103323 3.748943 -1.624302
C -4.578731 -2.218494 1.965350
C -2.393267 4.147144 -2.043589
C -4.713781 -3.596658 1.680138
H 3.668297 2.016574 1.417537
H 1.970110 1.669917 1.876364
H 4.110040 1.332338 -0.891654
H 2.363593 1.684557 -0.975207
H 4.083254 0.936299 3.577321
H 2.692846 -0.198993 3.360265
H 3.694877 -0.895462 -2.029073
H 1.957587 -0.514056 -2.128877
H 4.207009 1.159338 -3.429147
H 2.470537 1.529499 -3.519223
H 3.237806 0.343210 -5.618460
H 3.809144 -1.040628 -4.640355
H 2.064275 -0.673947 -4.732876
H -2.758445 -0.211840 -0.232699
H -0.127043 -2.103856 1.042284
H -4.123801 1.307694 -1.157371
H -1.582657 -4.168595 0.354362
H 0.110526 2.159394 -0.719834
H -3.254251 -0.491901 1.974861
H -4.485664 3.545941 -2.192906
H -3.715533 -5.369841 0.896754
H -0.253571 4.428184 -1.756781
H -5.405519 -1.670774 2.430887
H -2.551035 5.130287 -2.499097
H -5.649069 -4.118190 1.908078


