%chk=000249113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249113

0 1
O 2.038544 2.690408 -0.492041
O -0.820678 1.875777 -0.690117
O -6.494794 -0.283707 0.274944
N 2.344628 0.405489 -0.312022
C 3.826809 0.378748 -0.212111
C 4.272969 -0.137284 1.172083
C 4.432911 -0.475740 -1.344552
C 5.804440 -0.128920 1.264028
C 5.964011 -0.463912 -1.244321
C 6.438826 -0.949663 0.132388
C 1.516308 -0.830709 -0.231562
C 1.587760 1.570699 -0.430427
C 0.077272 -0.344064 -0.258679
C 0.090918 1.124533 -0.480791
C -0.958730 -1.173762 -0.053987
C -2.387929 -0.871826 -0.022970
C -3.203779 -1.616495 0.864097
C -2.984607 0.096025 -0.845971
C -4.567700 -1.389476 0.939925
C -4.360435 0.335063 -0.796922
C -5.138552 -0.403797 0.101184
C -7.194112 0.718403 -0.505059
H 4.169308 1.447131 -0.333046
H 3.891308 -1.159157 1.349715
H 3.839284 0.496791 1.968699
H 4.111343 -0.082940 -2.327756
H 4.062065 -1.515503 -1.291085
H 6.121801 -0.529262 2.245267
H 6.177319 0.913659 1.226849
H 6.345466 0.558675 -1.434251
H 6.395211 -1.100787 -2.039446
H 7.541416 -0.885423 0.193979
H 6.187324 -2.019938 0.259337
H 1.744805 -1.393590 0.699205
H 1.732105 -1.497800 -1.095159
H -0.734681 -2.235893 0.141663
H -2.751369 -2.373610 1.506360
H -2.370600 0.678409 -1.541218
H -5.206852 -1.943340 1.623870
H -4.796356 1.091501 -1.441794
H -8.225801 0.598306 -0.148885
H -7.117258 0.489862 -1.571755
H -6.812116 1.716618 -0.271164


%chk=000249113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249113

0 1
O 2.267437 2.660051 -1.035555
O -0.661330 2.113812 -0.865552
O -6.676604 -0.596319 -0.054237
N 2.409093 0.403829 -0.327530
C 3.882570 0.318647 -0.291514
C 4.416965 0.109340 1.149980
C 4.426518 -0.770211 -1.251478
C 5.964838 0.088180 1.161029
C 5.974504 -0.787328 -1.236751
C 6.523089 -0.985437 0.196663
C 1.516523 -0.711056 0.027628
C 1.737612 1.568867 -0.692780
C 0.103253 -0.146580 -0.153868
C 0.230145 1.254953 -0.595403
C -0.993507 -0.954383 0.095131
C -2.434997 -0.755263 0.024747
C -3.264761 -1.875400 0.368217
C -3.085144 0.459389 -0.357494
C -4.660098 -1.795829 0.333919
C -4.487656 0.548959 -0.394784
C -5.282508 -0.576838 -0.050232
C -7.381999 0.632652 -0.443264
H 4.226157 1.309653 -0.651353
H 4.039859 -0.853465 1.554011
H 4.034300 0.915210 1.803969
H 4.049307 -0.581927 -2.274353
H 4.053200 -1.767538 -0.938379
H 6.328815 -0.092436 2.190633
H 6.344878 1.085088 0.857894
H 6.353882 0.171968 -1.644256
H 6.346010 -1.587501 -1.905268
H 7.629406 -0.952304 0.189037
H 6.234052 -1.992703 0.562826
H 1.691477 -1.040099 1.072149
H 1.691483 -1.583760 -0.633514
H -0.726086 -1.976379 0.417309
H -2.792134 -2.820007 0.665345
H -2.471527 1.326606 -0.623780
H -5.292892 -2.648955 0.595137
H -4.950448 1.494759 -0.691583
H -8.450023 0.382496 -0.371243
H -7.132756 0.922741 -1.481348
H -7.143101 1.464018 0.246395


