%chk=000218648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218648

0 1
O -4.902936 -1.075979 -0.247199
O 5.144734 -0.171725 1.459893
O -9.745085 1.470997 0.344340
N 1.576998 -0.957334 -0.868679
N -1.253299 -1.037655 -0.223067
C 0.609130 0.007962 -1.488107
C 1.100371 -1.323175 0.506320
C -0.775421 -0.662635 -1.594939
C -0.284488 -1.993168 0.408398
C 2.957319 -0.370650 -0.821420
C -2.632785 -1.614997 -0.272767
C 3.972944 -1.520322 -0.691476
C -3.603347 -0.452872 -0.010516
C 5.416695 -1.015451 -0.767546
C 5.835917 -0.242475 0.465572
C 7.157324 0.464192 0.402327
C -6.031156 -0.305416 -0.054630
C 8.180981 0.073842 -0.471856
C 7.362992 1.546689 1.272767
C -6.048584 1.030840 0.343864
C -7.224944 -1.024823 -0.311451
C 9.394351 0.767099 -0.482142
C 8.574370 2.242333 1.256821
C -7.284036 1.681533 0.494955
C -8.440855 -0.384039 -0.162892
C 9.590387 1.852985 0.378426
C -8.457540 0.973471 0.242054
C -9.897736 2.847583 0.759098
H 0.970084 0.260900 -2.507470
H 0.521540 0.958481 -0.917948
H 1.046771 -0.447816 1.190825
H 1.826135 -2.039191 0.949211
H -1.499820 0.054952 -2.034440
H -0.713270 -1.535376 -2.282050
H -0.197644 -2.950399 -0.150490
H -0.646972 -2.232114 1.431081
H 3.098834 0.351661 0.013389
H 3.144747 0.186373 -1.763761
H -2.887930 -2.109232 -1.235507
H -2.775452 -2.392726 0.508330
H 3.814470 -2.052261 0.270185
H 3.790458 -2.267923 -1.488980
H -3.474597 0.382655 -0.717127
H -3.554130 -0.091895 1.029557
H 5.557709 -0.387449 -1.671213
H 6.099345 -1.881677 -0.898717
H 8.044657 -0.773744 -1.142483
H 6.567219 1.832783 1.966579
H -5.133128 1.579811 0.541180
H -7.160177 -2.066879 -0.619859
H 10.189151 0.460669 -1.160291
H 8.727460 3.083419 1.931447
H -7.301309 2.721258 0.805517
H -9.384461 -0.894679 -0.348322
H 10.536656 2.393237 0.365838
H -10.989456 2.962950 0.755906
H -9.431876 3.518900 0.032277
H -9.492916 2.990299 1.764987


%chk=000218648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218648

0 1
O -4.986843 -1.271191 -0.081940
O 5.108716 -0.186484 1.449875
O -9.742783 1.724825 0.352733
N 1.549215 -1.053479 -0.922109
N -1.258227 -1.242490 -0.186207
C 0.533861 -0.140987 -1.505448
C 1.130836 -1.458671 0.445272
C -0.840768 -0.827613 -1.549117
C -0.242250 -2.148610 0.405745
C 2.914591 -0.471059 -0.961370
C -2.635002 -1.786568 -0.141277
C 4.018106 -1.536678 -0.786904
C -3.656034 -0.647888 -0.011963
C 5.434473 -0.931700 -0.852148
C 5.842577 -0.170985 0.417492
C 7.148996 0.577282 0.425390
C -6.106376 -0.427368 0.038139
C 8.034407 0.585759 -0.686755
C 7.507331 1.297016 1.598366
C -6.044974 0.972387 0.222965
C -7.368642 -1.072832 -0.037374
C 9.251362 1.298134 -0.624725
C 8.720117 2.010577 1.658797
C -7.240017 1.727181 0.332276
C -8.551324 -0.326528 0.070499
C 9.596428 2.012825 0.546106
C -8.493790 1.079871 0.256459
C -9.731452 3.173372 0.549364
H 0.843310 0.121540 -2.534812
H 0.443097 0.807638 -0.916783
H 1.072004 -0.573258 1.127331
H 1.874768 -2.158497 0.863574
H -1.587059 -0.124544 -1.962742
H -0.779598 -1.708987 -2.236667
H -0.148847 -3.099812 -0.176325
H -0.552208 -2.403008 1.436251
H 3.044247 0.326178 -0.188602
H 3.040452 0.008078 -1.953243
H -2.885410 -2.401917 -1.037998
H -2.734663 -2.445714 0.739934
H 3.900038 -2.045239 0.186612
H 3.895985 -2.297677 -1.579793
H -3.543653 0.089630 -0.833616
H -3.521000 -0.124879 0.955328
H 5.530302 -0.257861 -1.728111
H 6.184163 -1.735083 -1.010567
H 7.783102 0.037199 -1.600405
H 6.813954 1.275780 2.445855
H -5.084428 1.492160 0.286432
H -7.396594 -2.157364 -0.180194
H 9.929347 1.298126 -1.485227
H 8.986234 2.563319 2.566363
H -7.169786 2.809602 0.476174
H -9.531709 -0.809137 0.014499
H 10.540708 2.566990 0.591522
H -10.790493 3.467000 0.600067
H -9.241450 3.693677 -0.297776
H -9.222950 3.449759 1.494577


