%chk=000256512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256512

0 1
O -0.092102 -2.896427 1.540494
O 5.447898 -1.245414 -1.302796
N -3.755679 1.697638 -0.620054
N 0.198715 2.148801 -0.450369
N -6.410726 0.160062 0.879737
N 1.765867 3.394593 2.418952
C -1.895515 3.193583 -1.246539
C -2.658545 1.910063 -1.614566
C -0.974765 2.977554 -0.033970
C -4.254182 0.281031 -0.616330
C 0.954743 1.574095 0.694276
C -3.182151 -0.628784 -0.043460
C 2.146696 0.792590 0.175336
C -2.558154 -0.295977 1.175190
C 3.254220 1.460415 -0.383446
C -2.794257 -1.779162 -0.737053
C 2.139858 -0.604704 0.245203
C -5.461689 0.220187 0.225859
C 1.416871 2.594952 1.663658
C -1.539830 -1.091164 1.683682
C 4.339910 0.744536 -0.867857
C -1.772014 -2.597614 -0.244937
C 3.223392 -1.349326 -0.233536
C -1.147495 -2.233232 0.953270
C 4.311676 -0.665107 -0.786815
C 0.355127 -4.132702 0.933357
C 5.555411 -2.688388 -1.254506
H -1.310007 3.529292 -2.124648
H -2.602481 4.015312 -1.017037
H -3.033018 1.973413 -2.657440
H -1.947729 1.048045 -1.576142
H -0.676741 3.958004 0.396197
H -1.542587 2.437292 0.760007
H -4.541669 -0.073429 -1.650741
H 0.246262 0.878973 1.243414
H -4.529252 2.347258 -0.801450
H 0.816011 2.681355 -1.070879
H -2.879999 0.600786 1.712270
H 3.266636 2.550369 -0.428929
H -3.282182 -2.049606 -1.673950
H 1.284827 -1.132504 0.680320
H -1.051163 -0.863935 2.628639
H 5.207015 1.238895 -1.300395
H -1.478456 -3.485262 -0.794051
H 3.205697 -2.430691 -0.166402
H 1.156010 -4.441303 1.618450
H 0.744570 -3.942385 -0.070656
H -0.454947 -4.868006 0.925597
H 6.540796 -2.853967 -1.710584
H 4.764749 -3.148392 -1.853372
H 5.541578 -3.036511 -0.217796


%chk=000256512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256512

0 1
O 0.286007 -3.758124 0.543198
O 4.980596 -1.661068 -0.131287
N -3.400308 1.478075 -0.062296
N 0.155410 2.623865 -0.701602
N -5.598168 0.058561 2.202071
N 2.365433 5.190783 0.121221
C -2.160509 3.146498 -1.441359
C -2.696976 1.704077 -1.348343
C -1.033859 3.465193 -0.437101
C -3.970077 0.108114 0.076928
C 1.265670 2.737580 0.268940
C -2.871443 -0.957642 0.196858
C 2.271778 1.587604 0.112327
C -1.916296 -0.887742 1.243442
C 3.669858 1.785251 -0.002504
C -2.785629 -2.008395 -0.739416
C 1.767335 0.267063 0.133378
C -4.865805 0.084135 1.260958
C 1.924632 4.084819 0.218852
C -0.891541 -1.842660 1.341101
C 4.543261 0.683722 -0.090174
C -1.756322 -2.975955 -0.661509
C 2.627550 -0.848039 0.056301
C -0.801210 -2.882679 0.379005
C 4.025626 -0.634734 -0.053837
C 0.377754 -4.900357 -0.372006
C 4.491964 -3.040693 -0.068250
H -1.795106 3.318490 -2.474441
H -2.987785 3.868759 -1.283847
H -3.360164 1.503596 -2.227051
H -1.848170 0.999698 -1.404310
H -0.807518 4.556875 -0.480328
H -1.386441 3.235756 0.586266
H -4.607940 -0.172510 -0.801849
H 0.803671 2.662410 1.276130
H -4.117792 2.196839 0.114581
H 0.492212 2.690624 -1.672455
H -1.977599 -0.070979 1.970534
H 4.082032 2.800669 -0.019822
H -3.522856 -2.076205 -1.549184
H 0.686038 0.113510 0.202161
H -0.147432 -1.802810 2.142433
H 5.624948 0.821013 -0.180071
H -1.709063 -3.773146 -1.408958
H 2.201164 -1.855290 0.094438
H 1.258950 -5.467290 -0.037401
H 0.520607 -4.568773 -1.419002
H -0.522854 -5.540132 -0.304680
H 5.394481 -3.667213 -0.121170
H 3.825632 -3.270939 -0.923153
H 3.953453 -3.235101 0.879481


