%chk=000244709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244709

0 1
O 2.620575 -0.006109 0.664978
N -5.302123 0.122608 1.005173
C 0.104834 0.010526 -0.912625
C 0.816633 -1.247037 -0.470577
C 0.830581 1.258578 -0.466720
C -1.324035 0.016158 -0.404565
C 2.005372 -1.193880 0.272354
C 2.019047 1.190243 0.274983
C 0.312678 -2.514553 -0.796458
C 0.339372 2.532613 -0.787185
C -2.394604 -0.015969 -1.307839
C -1.586613 0.053112 0.974823
C 2.693973 -2.342712 0.690736
C 2.721170 2.329747 0.695894
C 0.980079 -3.673181 -0.392691
C 1.020088 3.682381 -0.380477
C 2.166339 -3.586539 0.348586
C 2.206637 3.580402 0.358392
C -3.712247 -0.015760 -0.851942
C -2.894211 0.054813 1.450289
C -3.969255 0.025628 0.534361
H 0.099420 0.012866 -2.039440
H -0.615280 -2.590252 -1.364643
H -0.589807 2.620410 -1.352136
H -2.204102 -0.042202 -2.380592
H -0.752785 0.080064 1.678748
H 3.612277 -2.244691 1.264938
H 3.638920 2.219913 1.268733
H 0.575955 -4.648908 -0.653355
H 0.625175 4.663395 -0.636094
H 2.680358 -4.495300 0.660171
H 2.730849 4.482549 0.672274
H -4.532815 -0.031752 -1.563059
H -3.084127 0.093313 2.519291
H -6.021065 -0.219885 0.384854
H -5.459664 -0.162889 1.960717


%chk=000244709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244709

0 1
O 2.908598 -0.000398 0.260107
N -5.459483 0.001873 0.794181
C 0.115927 -0.000688 -0.808239
C 0.863529 -1.266777 -0.362545
C 0.863569 1.265692 -0.363289
C -1.357281 -0.000372 -0.384538
C 2.197655 -1.214372 0.107831
C 2.197659 1.213526 0.107197
C 0.260797 -2.544661 -0.466497
C 0.260803 2.543506 -0.467827
C -2.394238 0.001099 -1.347541
C -1.727465 -0.001114 0.985388
C 2.916819 -2.378494 0.455371
C 2.916789 2.377799 0.454280
C 0.960915 -3.722124 -0.130072
C 0.960895 3.721131 -0.131890
C 2.297493 -3.637431 0.330794
C 2.297443 3.636671 0.329093
C -3.754024 0.001770 -0.972089
C -3.076299 -0.000417 1.379857
C -4.118214 0.001062 0.404176
H 0.118643 -0.001010 -1.920975
H -0.777466 -2.603185 -0.812600
H -0.777465 2.601864 -0.813931
H -2.136731 0.001653 -2.414946
H -0.943583 -0.002316 1.752470
H 3.944305 -2.273948 0.816749
H 3.944241 2.273432 0.815802
H 0.470776 -4.696837 -0.224693
H 0.470732 4.695791 -0.226949
H 2.851014 -4.544618 0.596376
H 2.850916 4.543985 0.594339
H -4.535864 0.002797 -1.741699
H -3.334850 -0.000996 2.446286
H -6.203443 0.002972 0.103100
H -5.715513 0.000834 1.776818


