%chk=000200408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200408

0 1
O 3.142304 -0.418565 -0.327561
N -0.928573 -2.155446 -0.031518
N -3.209986 -0.386576 0.072152
N -5.377521 0.134267 -0.760260
C -2.325405 -2.690362 -0.160546
C -0.936375 -0.958495 0.870762
C -3.238590 -1.614759 -0.780349
C -1.822759 0.139487 0.250323
C -0.009126 -3.228303 0.475746
C 1.457251 -2.765708 0.481352
C 1.941591 -2.345319 -0.910303
C -4.261299 0.541406 -0.054819
C 3.349600 -1.760003 -0.874515
C -4.225214 1.799251 0.610321
C -5.351079 2.612658 0.564267
C -6.457363 0.952145 -0.776258
C -6.492015 2.197719 -0.133719
C 4.243739 0.390252 -0.154301
C 3.918868 1.688725 0.327724
C 5.563806 0.011340 -0.410647
C 4.964628 2.584077 0.545536
C 2.500621 2.067795 0.595493
C 6.589158 0.939282 -0.180167
C 6.295946 2.215039 0.294495
H -2.750977 -3.029619 0.809210
H -2.302415 -3.571247 -0.837936
H 0.106940 -0.575985 0.953025
H -1.286661 -1.191977 1.899502
H -4.283227 -2.001746 -0.836998
H -2.917793 -1.385481 -1.820690
H -1.393650 0.464537 -0.725349
H -1.837646 1.025622 0.922845
H -0.113652 -4.100694 -0.208292
H -0.283034 -3.585171 1.492917
H 2.088270 -3.584685 0.876999
H 1.591056 -1.913652 1.181260
H 1.907029 -3.199966 -1.611582
H 1.237473 -1.587437 -1.327727
H 4.034845 -2.310036 -0.208993
H 3.787574 -1.657950 -1.881915
H -3.340057 2.106518 1.158659
H -5.345783 3.577254 1.072988
H -7.320181 0.579305 -1.342057
H -7.377040 2.821188 -0.178927
H 5.809952 -0.977307 -0.780469
H 4.747498 3.585751 0.915056
H 2.272668 3.078861 0.234953
H 1.798517 1.376831 0.101266
H 2.282960 2.037392 1.672008
H 7.621181 0.652408 -0.376669
H 7.094045 2.931179 0.471811


%chk=000200408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200408

0 1
O 3.278525 -0.355820 -0.210224
N -1.008675 -1.983347 -0.035578
N -3.296568 -0.246085 -0.333499
N -5.641265 -0.220258 -0.538966
C -2.371665 -2.542652 -0.226692
C -1.084005 -0.697457 0.697001
C -3.256813 -1.559540 -1.009066
C -1.965762 0.318186 -0.061163
C -0.091247 -2.966424 0.595663
C 1.390337 -2.532891 0.572886
C 1.911134 -2.244774 -0.851042
C -4.491776 0.459760 -0.198780
C 3.331192 -1.676406 -0.870101
C -4.552607 1.814187 0.273191
C -5.807700 2.431901 0.408105
C -6.839804 0.405954 -0.400623
C -6.990908 1.726653 0.072837
C 4.476002 0.373146 -0.092217
C 4.349759 1.641036 0.551044
C 5.728814 -0.085782 -0.565955
C 5.516309 2.423072 0.701278
C 2.996794 2.109951 1.046715
C 6.877625 0.722124 -0.399190
C 6.777499 1.978038 0.234372
H -2.860821 -2.775035 0.753911
H -2.288194 -3.486239 -0.797870
H -0.069125 -0.271744 0.791848
H -1.498770 -0.840229 1.728768
H -4.291349 -1.925789 -1.090064
H -2.837623 -1.436131 -2.030911
H -1.461686 0.585292 -1.015319
H -2.049229 1.229599 0.550716
H -0.197836 -3.915112 0.032568
H -0.391013 -3.182907 1.654453
H 1.988981 -3.342605 1.037967
H 1.545159 -1.636511 1.201120
H 1.903835 -3.178292 -1.450228
H 1.224353 -1.540292 -1.354099
H 4.037458 -2.333813 -0.319461
H 3.697351 -1.551282 -1.910041
H -3.649025 2.378058 0.517516
H -5.862035 3.465913 0.767266
H -7.715027 -0.189945 -0.688089
H -7.980913 2.181430 0.164921
H 5.821755 -1.057067 -1.060312
H 5.432657 3.399655 1.193572
H 3.069452 3.111348 1.504338
H 2.263032 2.152100 0.220373
H 2.582580 1.410891 1.797393
H 7.845781 0.363952 -0.766901
H 7.665158 2.605982 0.364674


