%chk=000241039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241039

0 1
O -3.130336 -0.353703 0.622113
O 3.763005 -0.648617 -0.625052
O -3.277658 -0.394465 -1.649821
O 3.690747 1.530270 -0.006803
O -0.929698 3.313406 0.753923
O -2.613787 2.360147 -0.215163
N -1.454430 2.393635 0.154025
C -1.143503 -0.016107 -0.542060
C -0.594153 1.221190 -0.164386
C 1.633934 0.307463 -0.391634
C 0.795448 1.387097 -0.082013
C -0.296689 -1.086053 -0.848013
C 1.091094 -0.926774 -0.775980
C -2.626904 -0.250332 -0.648111
C 3.104874 0.516188 -0.299845
C -4.576558 -0.554748 0.765378
C 5.226005 -0.645092 -0.550428
C -4.827053 -2.008670 1.007890
C 5.633453 -1.230530 0.764432
C -6.049006 -2.521965 1.119714
C 6.903009 -1.453142 1.092425
H 1.224086 2.355477 0.225719
H -0.719473 -2.048948 -1.149829
H 1.759422 -1.762691 -1.017809
H -4.800743 0.077488 1.647837
H -5.096440 -0.162785 -0.131291
H 5.495278 -1.282509 -1.414811
H 5.603841 0.387360 -0.695411
H -3.922806 -2.615467 1.096640
H 4.802457 -1.463134 1.434867
H -6.232676 -3.571855 1.304558
H -6.959532 -1.945049 1.034660
H 7.199838 -1.875856 2.043272
H 7.744550 -1.231530 0.451106


%chk=000241039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241039

0 1
O -3.257456 -0.086276 0.682223
O 3.841991 -0.585220 -0.699715
O -3.231836 -0.972375 -1.485959
O 3.627253 1.552358 0.217829
O -1.080629 3.066813 1.249754
O -2.566915 2.426841 -0.361108
N -1.487633 2.267366 0.324841
C -1.184566 -0.107571 -0.488378
C -0.622790 1.104081 -0.010693
C 1.634475 0.260668 -0.336993
C 0.765743 1.293556 0.085198
C -0.298330 -1.122501 -0.921598
C 1.097755 -0.945799 -0.852420
C -2.658070 -0.415361 -0.524039
C 3.108024 0.501602 -0.231178
C -4.743079 -0.334257 0.784664
C 5.343115 -0.442848 -0.639130
C -5.007318 -1.704516 1.354818
C 5.865750 -0.793895 0.729303
C -5.680434 -2.674091 0.687513
C 6.664055 -1.862447 0.972520
H 1.175237 2.233306 0.467089
H -0.723541 -2.054184 -1.306426
H 1.778209 -1.733054 -1.185876
H -5.074437 0.471293 1.460009
H -5.190323 -0.211944 -0.215866
H 5.699942 -1.139697 -1.412678
H 5.587214 0.601337 -0.906416
H -4.631081 -1.886073 2.370967
H 5.581960 -0.111977 1.541250
H -5.876457 -3.651301 1.142916
H -6.048453 -2.517655 -0.333460
H 7.049774 -2.071736 1.976135
H 6.962450 -2.554744 0.175004


