%chk=000235696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235696

0 1
S 0.713241 -1.152230 -0.028540
O -4.344726 0.499216 0.440387
O 0.442316 -1.965887 -1.197887
O 0.891539 -1.773946 1.266995
N -0.583630 -0.038732 0.106849
C -1.749590 -0.139891 -0.819437
C 2.097290 -0.089433 -0.389462
C -2.742246 -1.188089 -0.363239
C -2.392370 1.229318 -0.867385
C 3.366347 -0.894997 -0.520675
C 2.252640 1.003740 0.637473
C -3.944579 -0.826248 0.258342
C -3.615697 1.479075 -0.228494
C -2.489857 -2.557944 -0.538955
C -1.764957 2.303413 -1.516164
C -4.867600 -1.764150 0.745781
C -4.218070 2.747232 -0.207654
C 4.166087 -0.720662 -1.661813
C 2.380631 2.332413 0.200689
C 3.769302 -1.796019 0.476549
C 2.286365 0.721113 2.011499
C -3.394191 -3.511356 -0.070319
C -2.346637 3.572229 -1.514438
C -4.573135 -3.115704 0.579163
C -3.566416 3.792782 -0.857262
C 5.353430 -1.444118 -1.802536
C 2.534984 3.364322 1.130422
C 4.957245 -2.516043 0.328841
C 2.441130 1.757485 2.935003
C 5.752168 -2.342775 -0.808587
C 2.564988 3.080488 2.498949
H -1.365713 -0.418239 -1.843209
H 1.888671 0.395469 -1.387170
H -0.864651 0.257053 1.052871
H -1.569339 -2.877011 -1.047956
H -0.809839 2.141010 -2.015629
H -5.780372 -1.427620 1.231250
H -5.166934 2.888141 0.305150
H 3.866817 -0.023603 -2.441790
H 2.363836 2.565337 -0.861784
H 3.155678 -1.948487 1.371600
H 2.190401 -0.310239 2.370197
H -3.180942 -4.570300 -0.206532
H -1.851182 4.397118 -2.021809
H -5.267475 -3.869814 0.950342
H -4.009744 4.788804 -0.857102
H 5.968215 -1.306705 -2.690886
H 2.632904 4.392696 0.785582
H 5.261831 -3.217218 1.105360
H 2.465841 1.530143 4.000483
H 6.676183 -2.906601 -0.920340
H 2.685010 3.885063 3.221674


%chk=000235696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235696

0 1
S 0.751476 -1.094598 -0.063112
O -4.441022 0.781293 0.108561
O 0.567694 -1.839714 -1.509211
O 0.811099 -1.997012 1.299991
N -0.673561 0.163781 0.039107
C -1.826004 -0.165344 -0.895303
C 2.467085 0.216854 -0.154086
C -2.854218 -1.091253 -0.262352
C -2.436674 1.168021 -1.297669
C 3.589497 -0.692242 -0.537622
C 2.462610 1.003782 1.109948
C -4.070569 -0.578009 0.252174
C -3.672747 1.593950 -0.752926
C -2.602765 -2.478922 -0.112667
C -1.766849 2.045772 -2.185155
C -4.999292 -1.396391 0.929581
C -4.217919 2.863661 -1.047118
C 4.277893 -0.433100 -1.753525
C 1.591811 2.130666 1.202471
C 3.980487 -1.810244 0.252049
C 3.307265 0.701156 2.214381
C -3.522798 -3.314522 0.551301
C -2.298896 3.311018 -2.502620
C -4.718832 -2.768374 1.081773
C -3.525603 3.723224 -1.920890
C 5.363988 -1.240785 -2.151405
C 1.564169 2.924093 2.365334
C 5.054782 -2.625579 -0.158328
C 3.277792 1.499212 3.376645
C 5.758192 -2.338086 -1.351981
C 2.406198 2.609907 3.459322
H -1.351865 -0.659375 -1.765595
H 2.078814 0.794022 -1.008387
H -0.965674 0.150689 1.037825
H -1.671297 -2.892161 -0.517312
H -0.812133 1.723956 -2.617514
H -5.922069 -0.949353 1.311089
H -5.173897 3.146028 -0.596330
H 3.964390 0.408520 -2.382650
H 0.926263 2.361716 0.363465
H 3.404805 -2.073265 1.146333
H 4.003699 -0.139093 2.156293
H -3.308867 -4.382291 0.661817
H -1.768442 3.973772 -3.194137
H -5.433991 -3.412284 1.604884
H -3.943925 4.707517 -2.157285
H 5.891445 -1.023557 -3.086410
H 0.890863 3.786221 2.419902
H 5.335428 -3.494995 0.446032
H 3.936894 1.257212 4.217352
H 6.593438 -2.974055 -1.665325
H 2.387032 3.228160 4.363684


