%chk=000245891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245891

0 1
O 2.903061 2.340799 -0.898875
O 2.904129 -2.292823 -0.905469
O -2.903377 2.336857 0.903457
O -2.902282 -2.296765 0.896816
N 3.245357 0.024252 -1.023620
N -3.244584 0.019792 1.021610
C 1.125011 0.729416 -0.347760
C 1.125345 -0.683841 -0.349790
C -1.124576 0.727888 0.347763
C -1.124242 -0.685369 0.345735
C 4.679690 0.025168 -1.405875
C -4.678912 0.018908 1.403882
C 5.582773 0.020632 -0.164025
C -5.582013 0.020537 0.162038
C 0.000043 1.473063 0.001074
C 0.000727 -1.429015 -0.003093
C 2.489345 1.221172 -0.770606
C 2.489915 -1.173748 -0.774060
C -2.489141 1.217790 0.772029
C -2.488575 -1.177130 0.768603
C 7.061404 0.021967 -0.571168
C -7.060638 0.019475 0.569203
C 7.976091 0.017565 0.660993
C -7.975343 0.021302 -0.662951
C 9.457823 0.019043 0.259096
C -9.457069 0.020401 -0.261031
C 10.372848 0.014860 1.481440
C -10.372112 0.022399 -1.483368
H 4.872238 -0.873704 -2.036709
H 4.872703 0.928264 -2.030518
H -4.871884 0.918926 2.032956
H -4.871483 -0.883053 2.030295
H 5.362628 -0.866315 0.462955
H 5.362778 0.903021 0.469369
H -5.361698 -0.863116 -0.469503
H -5.362207 0.906230 -0.466807
H -0.000211 2.566372 0.002653
H 0.000986 -2.522324 -0.004658
H 7.281441 -0.860550 -1.203569
H 7.281573 0.908850 -1.197374
H -7.280498 -0.866356 1.197017
H -7.280966 0.903052 1.200009
H 7.759880 -0.867450 1.290239
H 7.759846 0.897998 1.296606
H -7.759277 0.905073 -1.293977
H -7.758969 -0.860384 -1.296796
H 9.677531 -0.862597 -0.374550
H 9.677439 0.905075 -0.368420
H -9.676597 -0.864565 0.368024
H -9.676847 0.903116 0.371087
H 10.209248 0.896174 2.112132
H 10.208431 -0.870155 2.106719
H 11.428127 0.015263 1.185864
H -10.208688 0.907012 -2.109471
H -10.207535 -0.859320 -2.113243
H -11.427386 0.021066 -1.187779


%chk=000245891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245891

0 1
O 2.933814 2.378450 -0.864470
O 2.934966 -2.330885 -0.870407
O -2.934342 2.374860 0.868639
O -2.933116 -2.334476 0.862985
N 3.271471 0.023986 -0.967646
N -3.270811 0.019983 0.966015
C 1.140874 0.732685 -0.335115
C 1.141230 -0.687324 -0.336867
C -1.140554 0.731298 0.335289
C -1.140191 -0.688711 0.333562
C 4.693709 0.024811 -1.351355
C -4.693082 0.019143 1.349602
C 5.638009 0.021389 -0.127067
C -5.637254 0.020649 0.125211
C -0.000028 1.485128 0.001009
C 0.000709 -1.441153 -0.002569
C 2.509368 1.204413 -0.737742
C 2.509959 -1.157373 -0.740690
C -2.509303 1.201349 0.739037
C -2.508689 -1.160437 0.736185
C 7.123517 0.022552 -0.550244
C -7.122814 0.019508 0.548206
C 8.086290 0.017938 0.659016
C -8.085421 0.021373 -0.661194
C 9.576967 0.019363 0.250006
C -9.576159 0.020034 -0.252404
C 10.530471 0.013789 1.464607
C -10.529477 0.022297 -1.467162
H 4.868953 -0.873109 -1.970918
H 4.869053 0.926036 -1.966064
H -4.868641 0.917812 1.967986
H -4.868227 -0.881339 1.965458
H 5.427119 -0.872567 0.491358
H 5.427115 0.911861 0.496372
H -5.425984 -0.870570 -0.497029
H -5.426597 0.913862 -0.494370
H -0.000300 2.578850 0.002335
H 0.000979 -2.534875 -0.003902
H 7.329528 -0.864676 -1.184476
H 7.329949 0.914164 -1.178149
H -7.328872 -0.871073 1.177698
H -7.329365 0.907777 1.180799
H 7.880618 -0.872720 1.288398
H 7.880752 0.903801 1.295176
H -7.880068 0.910899 -1.292279
H -7.879381 -0.865631 -1.295598
H 9.781424 -0.865535 -0.386661
H 9.781875 0.909657 -0.378938
H -9.780655 -0.868959 0.378513
H -9.781221 0.906246 0.382236
H 10.366289 0.903980 2.100570
H 10.365739 -0.881866 2.092703
H 11.589693 0.014857 1.148530
H -10.365239 0.916652 -2.097237
H -10.364602 -0.869208 -2.101102
H -11.588748 0.021233 -1.151249


