%chk=000268148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268148

0 1
O 4.652479 -0.780638 0.250552
O -4.651296 0.777672 -0.248231
O 3.922699 1.205544 -0.558314
O -3.921319 -1.208361 0.560832
N 1.375791 -0.384689 -0.174559
N -1.374543 0.382074 0.176895
C 0.342032 -1.462174 0.034375
C -0.340811 1.459581 -0.032022
C 0.811788 0.818986 -0.863545
C -0.810510 -0.821550 0.865952
C -0.207607 -2.050726 -1.276051
C 0.964992 -2.583267 0.890468
C 0.208791 2.048170 1.278411
C -0.963760 2.580646 -0.888157
C 2.600622 -0.854519 -0.883224
C -2.599434 0.851874 0.885471
C 3.746263 0.021066 -0.401971
C -3.745007 -0.023882 0.404349
C 5.862545 -0.163912 0.791866
C -5.861394 0.160876 -0.789414
C 6.855210 0.092008 -0.323439
C -6.854295 -0.094185 0.325876
H 1.632147 1.569124 -0.969249
H 0.442256 0.588576 -1.886165
H -0.440903 -0.591058 1.888523
H -1.630842 -1.571689 0.971780
H -0.752972 -1.288584 -1.849997
H 0.577251 -2.463215 -1.912241
H -0.927424 -2.853033 -1.076671
H 0.204353 -3.295435 1.226032
H 1.718807 -3.151908 0.334037
H 1.462778 -2.175963 1.779849
H 0.754422 1.286128 1.852232
H 0.928340 2.850715 1.079033
H -0.576124 2.460358 1.914727
H -0.203068 3.292611 -1.224054
H -1.717292 3.149563 -0.331645
H -1.461821 2.173277 -1.777359
H 2.547866 -0.791886 -1.993364
H 2.813662 -1.922501 -0.631066
H -2.812582 1.919797 0.633163
H -2.546677 0.789428 1.995625
H 5.575621 0.759622 1.325457
H 6.194465 -0.942531 1.502294
H -5.574552 -0.763012 -1.322436
H -6.193063 0.939158 -1.500331
H 7.824017 0.421367 0.069386
H 7.025945 -0.808326 -0.926653
H 6.491161 0.876537 -1.004233
H -7.823110 -0.423562 -0.066929
H -6.490550 -0.878392 1.007202
H -7.024948 0.806537 0.928532


%chk=000268148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268148

0 1
O 4.721017 -0.793486 0.235132
O -4.719976 0.790914 -0.232548
O 3.937959 1.256316 -0.554309
O -3.936590 -1.258938 0.556433
N 1.363105 -0.387393 -0.224453
N -1.361929 0.384855 0.226699
C 0.343294 -1.475864 0.004856
C -0.342117 1.473324 -0.002630
C 0.792294 0.833114 -0.844334
C -0.791115 -0.835660 0.846566
C -0.232024 -2.062066 -1.317785
C 0.961054 -2.605963 0.864787
C 0.233205 2.059554 1.319998
C -0.959878 2.603408 -0.862579
C 2.607140 -0.812694 -0.912267
C -2.605941 0.810158 0.914550
C 3.791118 0.018132 -0.418365
C -3.789946 -0.020701 0.420769
C 5.939110 -0.110412 0.777252
C -5.938066 0.107800 -0.774626
C 7.011290 0.026583 -0.307529
C -7.010103 -0.029463 0.310262
H 1.608057 1.569392 -0.945524
H 0.391182 0.625153 -1.866911
H -0.390002 -0.627711 1.869146
H -1.606879 -1.571938 0.947744
H -0.850680 -1.314251 -1.842423
H 0.578749 -2.397722 -1.991807
H -0.873186 -2.935730 -1.100515
H 0.156594 -3.235564 1.286971
H 1.617729 -3.273112 0.277844
H 1.547426 -2.176785 1.696434
H 0.851868 1.311750 1.844646
H 0.874361 2.933217 1.102709
H -0.577566 2.395218 1.994019
H -0.155418 3.233002 -1.284775
H -1.616552 3.270568 -0.275648
H -1.546249 2.174216 -1.694219
H 2.544928 -0.696293 -2.021497
H 2.819253 -1.867910 -0.692577
H -2.818088 1.865362 0.694839
H -2.543672 0.693802 2.023783
H 5.638537 0.875966 1.172159
H 6.260015 -0.770441 1.598807
H -5.637443 -0.878488 -1.169718
H -6.259133 0.767922 -1.596044
H 7.933311 0.452266 0.130347
H 7.258765 -0.956895 -0.743164
H 6.669192 0.699770 -1.111101
H -7.932133 -0.455176 -0.127567
H -6.667839 -0.702734 1.113693
H -7.257627 0.953926 0.746070


