%chk=000231893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231893

0 1
O -0.562761 0.862055 -0.236733
O 0.462644 -1.630020 -0.953795
O 1.866393 0.419574 -1.583486
O 3.021196 -1.096267 1.489735
O 0.231497 2.989612 -0.300997
O 0.770399 -2.594970 1.076797
N -3.775943 0.060216 0.022321
C -2.611013 -0.172822 -0.919865
C -1.785094 1.147998 -0.975229
C -2.626308 2.224275 -0.276271
C -3.913286 1.536461 0.214877
C -1.889604 -1.377360 -0.336597
C -3.465415 -0.713199 1.284366
C -2.349882 -1.651598 0.896369
C 2.427490 0.375440 -0.273081
C 1.510475 1.129293 0.747561
C 2.536115 -1.146331 0.150567
C -0.891649 -2.169812 -1.100742
C 0.385474 1.839028 0.010287
C 3.805363 0.994390 -0.460075
C 1.162218 -1.868933 0.196942
C 2.241242 2.130319 1.635317
C 3.454664 -1.966502 -0.741821
H -3.033868 -0.390763 -1.928874
H -1.475035 1.429512 -1.999161
H -2.848351 3.062199 -0.960196
H -2.063595 2.677539 0.561463
H -4.149823 1.802327 1.261965
H -4.787369 1.849819 -0.398683
H -4.389107 -1.264389 1.564224
H -3.179140 -0.077148 2.145613
H -2.016860 -2.430703 1.565495
H 1.038332 0.367397 1.432664
H -0.868534 -3.231622 -0.786036
H -1.019572 -2.094607 -2.198453
H 4.295981 0.588339 -1.356271
H 3.731868 2.079028 -0.622263
H 4.451222 0.810284 0.407298
H 2.638529 2.979607 1.062493
H 1.572255 2.545972 2.399856
H 3.076937 1.645709 2.159560
H 4.506363 -1.695633 -0.571571
H 3.370504 -3.045224 -0.568777
H 3.232708 -1.776222 -1.805023
H 0.947092 0.022634 -1.624112
H 2.989346 -1.988301 1.914542


%chk=000231893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231893

0 1
O -0.471251 0.830719 0.045157
O 0.454573 -1.688868 -0.927089
O 1.933603 0.551431 -1.668709
O 3.237447 -1.153161 1.415932
O 0.286562 3.022688 -0.217996
O 0.778903 -2.237863 1.315051
N -3.886006 0.008948 -0.229223
C -2.554872 -0.162278 -0.910141
C -1.742730 1.175559 -0.642002
C -2.670032 2.046784 0.242427
C -4.084365 1.471926 -0.044798
C -2.000339 -1.442777 -0.288340
C -3.888020 -0.828713 1.014565
C -2.742964 -1.790987 0.795965
C 2.563734 0.430755 -0.339218
C 1.769684 1.276638 0.768995
C 2.598139 -1.100633 0.097711
C -0.931078 -2.305926 -0.889512
C 0.498534 1.848620 0.145617
C 3.994097 0.942633 -0.557964
C 1.180194 -1.707560 0.249836
C 2.559879 2.408168 1.457667
C 3.395804 -1.982684 -0.893257
H -2.687033 -0.265483 -2.006370
H -1.482395 1.694419 -1.582705
H -2.565365 3.121204 0.025328
H -2.400157 1.879413 1.302251
H -4.808813 1.668854 0.763112
H -4.497511 1.902159 -0.977367
H -4.855304 -1.355506 1.134908
H -3.725941 -0.229187 1.942718
H -2.564884 -2.665166 1.428579
H 1.450187 0.564953 1.552640
H -0.845554 -3.258974 -0.341363
H -1.111344 -2.495065 -1.961563
H 4.441652 0.424729 -1.421053
H 3.974084 2.018553 -0.794361
H 4.620149 0.774711 0.332394
H 2.814435 3.215219 0.751785
H 1.946181 2.856424 2.260023
H 3.482372 2.014508 1.913674
H 4.468638 -1.765853 -0.772550
H 3.242365 -3.053772 -0.672282
H 3.092985 -1.779105 -1.933473
H 1.105897 -0.004246 -1.681139
H 2.649957 -1.689611 2.018341


