%chk=000211544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211544

0 1
O -0.519985 2.483556 -0.625737
O 1.762947 -5.623640 -1.596399
N -4.372757 0.622174 0.119790
N -0.673225 0.211505 -0.484459
N -0.164651 -1.013585 -0.286969
C -5.295330 -0.010484 1.119415
C -4.706898 2.071077 -0.086221
C -6.746740 0.092481 0.620163
C -6.148065 2.201417 -0.605141
C -7.142876 1.552057 0.365086
C -2.940985 0.460258 0.527832
C -2.142424 0.255742 -0.777738
C 0.074402 1.446760 -0.397462
C 1.497608 1.269438 -0.051377
C 1.129668 -1.132920 0.002412
C 2.000113 0.015313 0.127514
C 2.331291 2.477779 0.089500
C 1.671320 -2.500198 0.199931
C 2.186053 3.554408 -0.801864
C 3.286319 2.554181 1.118716
C 1.476357 -3.476845 -0.774223
C 2.395708 -2.790831 1.373509
C 2.024772 -4.759198 -0.558187
C 2.924346 -4.066815 1.559837
C 3.000395 4.681920 -0.675499
C 4.094980 3.686578 1.240229
C 2.751105 -5.069076 0.597398
C 3.957612 4.749600 0.341912
C 2.261526 -6.979264 -1.492334
H -5.209987 0.443044 2.129999
H -5.012082 -1.081609 1.213012
H -3.997860 2.481799 -0.838570
H -4.580368 2.675741 0.837701
H -7.426570 -0.371541 1.356891
H -6.852823 -0.489971 -0.317368
H -6.226129 1.715920 -1.598642
H -6.393042 3.267958 -0.757194
H -8.166832 1.602226 -0.048445
H -7.167453 2.113174 1.318118
H -2.811866 -0.429447 1.180944
H -2.538978 1.327463 1.095287
H -2.322897 1.096485 -1.489241
H -2.459790 -0.684894 -1.282553
H 3.055008 -0.155780 0.356125
H 1.422031 3.515812 -1.581754
H 3.390899 1.737998 1.830767
H 0.907537 -3.278002 -1.681498
H 2.527821 -2.027166 2.134922
H 3.482029 -4.293278 2.469363
H 2.884148 5.512533 -1.370462
H 4.832531 3.741786 2.039151
H 3.171508 -6.054808 0.759078
H 4.590436 5.629828 0.437624
H 1.816243 -7.483261 -0.629882
H 3.354229 -6.980323 -1.449138
H 1.904572 -7.420478 -2.432571


%chk=000211544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211544

0 1
O -0.607205 2.604883 -0.485066
O 0.905318 -5.836019 -0.925814
N -4.323504 0.520502 0.047370
N -0.584834 0.270485 -0.532313
N -0.035347 -0.975341 -0.391309
C -5.289859 -0.166394 0.940557
C -4.657529 1.959727 -0.117972
C -6.722575 -0.060750 0.376610
C -6.067451 2.132890 -0.716728
C -7.121263 1.417928 0.160307
C -2.908256 0.305728 0.413619
C -2.029432 0.276057 -0.863910
C 0.067085 1.533530 -0.338554
C 1.496706 1.427113 0.017484
C 1.275093 -1.041452 -0.062216
C 2.050509 0.151760 0.129145
C 2.310868 2.649474 0.242691
C 1.855032 -2.408177 0.065310
C 2.007939 3.882360 -0.404071
C 3.445421 2.602956 1.105205
C 1.157431 -3.518655 -0.465467
C 3.102145 -2.625229 0.718826
C 1.690889 -4.822422 -0.355137
C 3.625888 -3.928223 0.822668
C 2.830292 5.013017 -0.213999
C 4.260297 3.735894 1.298166
C 2.935600 -5.040246 0.289092
C 3.960152 4.948277 0.632802
C 1.409665 -7.209037 -0.852893
H -5.272863 0.269582 1.975116
H -4.992913 -1.228520 1.024886
H -3.900500 2.431258 -0.770062
H -4.608808 2.490717 0.869634
H -7.428361 -0.558995 1.069227
H -6.761702 -0.599053 -0.590169
H -6.077326 1.701874 -1.736486
H -6.299801 3.211765 -0.804593
H -8.123790 1.484533 -0.303308
H -7.184690 1.927733 1.144313
H -2.807435 -0.665079 0.933071
H -2.524864 1.096886 1.100842
H -2.227173 1.172365 -1.470764
H -2.241488 -0.631839 -1.447113
H 3.121867 0.053301 0.322939
H 1.122787 3.946309 -1.040212
H 3.671817 1.684383 1.658701
H 0.197541 -3.373588 -0.967238
H 3.654696 -1.793104 1.165542
H 4.583517 -4.087054 1.330757
H 2.582876 5.949670 -0.725744
H 5.120006 3.678593 1.975030
H 3.364632 -6.042206 0.379981
H 4.591408 5.831239 0.782718
H 1.521052 -7.543884 0.197006
H 2.378179 -7.312272 -1.380245
H 0.647157 -7.820654 -1.356934


