%chk=000229641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229641

0 1
O 2.508985 -0.055110 -0.148496
O -2.774800 0.565042 -0.188080
O -1.022181 -0.882402 -1.612404
O 1.348824 0.164654 1.775144
O -1.189223 2.180553 -0.197566
N 0.073263 -1.743728 0.208520
C 2.556156 -1.516049 0.013987
C 1.268956 -2.120385 -0.581163
C -1.913750 -0.320429 0.587501
C 3.795004 -1.915046 -0.766996
C -0.929009 -0.977545 -0.404429
C -2.872391 -1.321627 1.197979
C 1.859049 0.693206 0.806915
C -2.268514 1.786640 -0.579604
C 1.897598 2.125023 0.433399
C -3.257523 2.454699 -1.464444
H 2.652122 -1.732864 1.102407
H 1.136987 -1.789944 -1.643641
H 1.345099 -3.231124 -0.602454
H 0.238911 -1.644302 1.216794
H -1.365314 0.292696 1.343837
H 3.956284 -2.998602 -0.751355
H 3.730477 -1.594926 -1.817212
H 4.692355 -1.433605 -0.353443
H -3.580288 -0.826425 1.877083
H -3.474962 -1.818705 0.421481
H -2.345050 -2.099906 1.763259
H 0.883759 2.456632 0.108924
H 2.583057 2.334101 -0.401625
H 2.175843 2.758330 1.288233
H -4.263709 2.011996 -1.380758
H -2.951907 2.350375 -2.520930
H -3.328409 3.530278 -1.244362


%chk=000229641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229641

0 1
O 2.590183 0.107390 -0.234515
O -2.922262 0.481636 -0.127911
O -1.411814 -1.573007 -1.508667
O 1.643028 0.408647 1.877708
O -0.991757 1.774888 -0.286591
N 0.111502 -1.427717 0.252735
C 2.584134 -1.386172 -0.042156
C 1.240016 -1.964609 -0.521979
C -2.160618 -0.566392 0.617667
C 3.768004 -1.916804 -0.852152
C -1.119735 -1.219593 -0.326653
C -3.212159 -1.579765 1.075504
C 2.096794 0.896915 0.808333
C -2.201545 1.593575 -0.562198
C 2.141221 2.359852 0.458996
C -3.070469 2.497173 -1.405239
H 2.718702 -1.577120 1.040538
H 1.070033 -1.726198 -1.587811
H 1.290219 -3.069672 -0.437110
H 0.335852 -0.987936 1.154691
H -1.652397 -0.076237 1.470093
H 3.841557 -3.014334 -0.748438
H 3.650459 -1.672568 -1.922105
H 4.710900 -1.470077 -0.495723
H -3.978305 -1.086094 1.696827
H -3.697803 -2.033988 0.196006
H -2.735459 -2.379508 1.669630
H 1.147424 2.629689 0.054880
H 2.906884 2.570478 -0.302113
H 2.318307 2.956037 1.367743
H -4.114886 2.477521 -1.057408
H -3.056232 2.132036 -2.448583
H -2.674080 3.523454 -1.387499


