%chk=000281516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281516

0 1
O 2.552265 -0.721827 2.290174
O -1.719204 -0.258631 1.239282
N 2.666100 -1.436397 0.141378
C 0.736794 -2.152718 1.610014
C -0.014180 -2.498411 0.317408
C 0.951281 -3.000792 -0.754618
C 1.981329 -1.916534 -1.089935
C -0.167007 -1.398014 2.601717
C 2.020414 -1.352445 1.380764
C 3.875524 -0.597706 -0.082107
C -0.597957 -0.009722 2.129384
C 3.522380 0.785707 -0.578000
C 3.691211 1.127077 -1.926107
C 3.021487 1.735152 0.326064
C -2.216890 0.939837 0.596733
C 3.364800 2.414239 -2.365728
C 2.696906 3.018256 -0.117740
C -3.294905 0.493284 -0.354487
C 2.868337 3.360171 -1.464223
C -3.745541 1.383308 -1.341541
C -3.859002 -0.785593 -0.255291
C -4.757572 0.990560 -2.221097
C -4.868459 -1.173194 -1.140401
C -5.320067 -0.286645 -2.123063
H 1.065693 -3.109219 2.099497
H -0.791895 -3.256052 0.529154
H -0.576629 -1.606176 -0.044326
H 1.461864 -3.922746 -0.412858
H 0.396867 -3.281100 -1.670945
H 2.749828 -2.318355 -1.787126
H 1.489045 -1.058832 -1.605375
H -1.072561 -2.006177 2.806550
H 0.373337 -1.289603 3.567792
H 4.430502 -0.522086 0.889676
H 4.551035 -1.127315 -0.788520
H -0.951559 0.614035 2.968928
H 0.198684 0.522672 1.580876
H 4.078774 0.397161 -2.633133
H 2.889553 1.457355 1.376965
H -2.625426 1.614242 1.373929
H -1.382598 1.439740 0.069311
H 3.499535 2.679101 -3.412825
H 2.314315 3.755335 0.586066
H 2.617936 4.361587 -1.807782
H -3.311466 2.376980 -1.425694
H -3.498495 -1.470129 0.515590
H -5.108465 1.681470 -2.985598
H -5.304881 -2.167347 -1.062144
H -6.107541 -0.588904 -2.809885


%chk=000281516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281516

0 1
O 2.504994 -0.665533 2.450151
O -1.562750 -0.489539 1.251252
N 2.572042 -1.322858 0.222531
C 0.879878 -2.369672 1.780033
C 0.195867 -2.931423 0.509411
C 1.251154 -3.299970 -0.548512
C 2.025964 -2.038042 -0.956756
C -0.117970 -1.749591 2.800597
C 2.035441 -1.383970 1.502032
C 3.674092 -0.357846 -0.035525
C -0.696909 -0.376269 2.439331
C 3.195642 0.923568 -0.712790
C 3.455360 1.171399 -2.082998
C 2.468998 1.888659 0.034159
C -2.036227 0.818384 0.794219
C 2.995729 2.357412 -2.702256
C 2.009205 3.072889 -0.581498
C -3.042259 0.632934 -0.328425
C 2.270166 3.310856 -1.952841
C -3.311895 1.705152 -1.215750
C -3.744878 -0.586373 -0.486469
C -4.278170 1.566858 -2.236897
C -4.707555 -0.727254 -1.512123
C -4.980942 0.348464 -2.388259
H 1.368626 -3.221038 2.303980
H -0.408751 -3.815915 0.786905
H -0.503067 -2.177011 0.107077
H 1.953110 -4.058670 -0.148683
H 0.772582 -3.730541 -1.447817
H 2.877734 -2.298534 -1.615420
H 1.364145 -1.357149 -1.531208
H -0.949822 -2.463549 2.957682
H 0.405513 -1.624625 3.765991
H 4.118147 -0.128858 0.948363
H 4.430105 -0.865561 -0.664480
H -1.300565 0.009302 3.291406
H 0.122857 0.347260 2.245761
H 4.024448 0.436738 -2.667350
H 2.282016 1.702299 1.098466
H -2.511318 1.358212 1.647231
H -1.177378 1.436170 0.447540
H 3.205024 2.537615 -3.762841
H 1.459539 3.816636 0.007142
H 1.916556 4.231971 -2.429837
H -2.762088 2.649616 -1.112532
H -3.519600 -1.413753 0.192921
H -4.476981 2.403384 -2.916543
H -5.244185 -1.676168 -1.627246
H -5.728127 0.238536 -3.182422


