%chk=000250340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250340

0 1
O 2.235996 2.211777 1.429310
O 4.653882 -1.861829 -1.407368
N -4.443141 -0.504375 1.437263
C -2.776107 -0.066266 -0.327069
C -1.734279 -0.468486 0.581262
C -4.120307 -0.103187 0.142900
C 2.059656 0.131980 0.373136
C -0.332684 -0.489683 0.132898
C 0.652563 0.140094 0.788641
C -2.530986 0.378706 -1.662685
C 2.894662 1.224892 0.718438
C -2.075340 -0.854693 1.860413
C 2.621437 -0.933839 -0.344810
C -5.192766 0.284001 -0.726968
C 3.972960 -0.886095 -0.703842
C 4.247613 1.267338 0.350167
C -3.572537 0.747531 -2.477267
C -3.451741 -0.857627 2.249618
C -4.917638 0.696576 -2.005012
C 4.794151 0.207097 -0.365780
C 3.008451 3.352194 1.871912
C 3.919483 -3.044949 -1.798679
H -0.153803 -1.057892 -0.782965
H 0.447959 0.739495 1.686756
H -1.501757 0.428279 -2.018812
H -1.319795 -1.164943 2.578023
H 2.001350 -1.787957 -0.604008
H -6.211395 0.239729 -0.338284
H 4.875083 2.114430 0.615426
H -3.390139 1.087879 -3.495360
H -3.727070 -1.166353 3.266476
H 5.840391 0.204968 -0.667156
H -5.719953 0.994648 -2.679513
H 3.396997 3.905947 1.012492
H 3.804869 3.035582 2.551067
H 2.248514 3.939915 2.404379
H 4.693911 -3.626340 -2.316645
H 3.107258 -2.781348 -2.481764
H 3.556053 -3.578796 -0.915991


%chk=000250340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250340

0 1
O 2.620653 1.968198 2.105478
O 4.468275 -1.571363 -1.873082
N -4.540763 0.375669 1.347173
C -2.862333 -0.168989 -0.428057
C -1.773960 0.126864 0.492147
C -4.225742 -0.037249 0.056549
C 2.121755 0.339696 0.403900
C -0.368855 -0.030351 0.090197
C 0.706829 0.516359 0.746162
C -2.669677 -0.569329 -1.791429
C 3.108920 1.092977 1.118613
C -2.135847 0.538974 1.792490
C 2.569283 -0.561634 -0.605486
C -5.321514 -0.333177 -0.817338
C 3.940384 -0.704632 -0.899142
C 4.485660 0.944273 0.820556
C -3.756944 -0.847807 -2.624670
C -3.503918 0.655685 2.164485
C -5.095556 -0.734930 -2.134512
C 4.901150 0.052657 -0.183674
C 3.593743 2.755008 2.864728
C 3.519813 -2.381933 -2.637390
H -0.186797 -0.631848 -0.808519
H 0.529552 1.174917 1.603992
H -1.657577 -0.644914 -2.201417
H -1.367913 0.743860 2.544325
H 1.826312 -1.157647 -1.142357
H -6.329791 -0.224264 -0.406116
H 5.241277 1.518379 1.363611
H -3.584200 -1.149711 -3.663751
H -3.766294 0.976918 3.179943
H 5.960033 -0.075998 -0.426142
H -5.938869 -0.957793 -2.797258
H 4.172102 3.427395 2.201854
H 4.286906 2.102665 3.430692
H 2.993364 3.353706 3.565319
H 4.137709 -2.976061 -3.326528
H 2.821482 -1.746796 -3.217705
H 2.943151 -3.059373 -1.977043


