%chk=000229098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229098

0 1
N -0.832092 1.053093 -1.643483
N 1.360396 0.274722 -1.306530
C 0.382460 1.939898 0.342606
C -0.812178 1.695062 1.283154
C 0.423751 3.413193 -0.111564
C -0.890241 0.241319 1.764435
C 0.373042 1.006238 -0.875877
C -2.106442 0.015032 2.673287
C 1.729204 3.764297 -0.819412
C -1.065290 0.000812 -2.668668
C -1.411301 -1.381366 -2.091717
C 2.692810 0.292907 -0.680485
C -2.232758 -1.449336 3.087078
C 3.089197 -1.132172 -0.253411
C -2.778578 -1.419585 -1.399265
C 2.388994 -1.570765 1.038740
C -3.113771 -2.821135 -0.892610
C 2.841219 -2.960125 1.483138
H 1.322841 1.725113 0.921012
H -1.758867 1.983167 0.785503
H -0.725741 2.371108 2.157495
H 0.287968 4.073618 0.767055
H -0.430795 3.622135 -0.786991
H -0.937949 -0.449389 0.897849
H 0.037812 -0.028515 2.305100
H -3.031564 0.335509 2.155308
H -2.027810 0.653792 3.574676
H -1.665179 1.221741 -1.072640
H 1.729795 4.809497 -1.148978
H 2.599723 3.622901 -0.170714
H 1.877634 3.143451 -1.713975
H -0.149741 -0.084868 -3.302479
H -1.880653 0.370103 -3.328273
H -1.381968 -2.128016 -2.908790
H -0.613298 -1.694191 -1.386656
H 3.404916 0.655240 -1.459327
H 2.785359 0.991928 0.183645
H -2.366485 -2.103263 2.216809
H -1.342027 -1.796605 3.622972
H -3.093388 -1.602117 3.747696
H 2.843327 -1.840851 -1.071089
H 4.186858 -1.180127 -0.127589
H -2.795032 -0.707788 -0.550368
H -3.565650 -1.077652 -2.099513
H 2.584764 -0.838016 1.844824
H 1.291640 -1.566848 0.879230
H -2.360499 -3.183594 -0.183560
H -4.082934 -2.837671 -0.382315
H -3.162231 -3.545623 -1.713737
H 2.629967 -3.714941 0.716723
H 3.918155 -2.990258 1.682766
H 2.327630 -3.270161 2.399515


%chk=000229098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229098

0 1
N -0.711687 0.954423 -1.573946
N 1.406444 0.225727 -0.946544
C 0.270144 2.128856 0.355894
C -0.935579 1.871197 1.307344
C 0.206659 3.556054 -0.263079
C -0.910120 0.486949 1.992741
C 0.398616 1.040505 -0.730073
C -2.123010 0.248144 2.919862
C 1.425216 3.899816 -1.145069
C -0.823904 -0.044932 -2.646451
C -1.278617 -1.442904 -2.156669
C 2.651973 0.251451 -0.163425
C -2.104328 -1.146549 3.581985
C 3.228313 -1.178699 -0.043751
C -2.698979 -1.466322 -1.550444
C 2.330932 -2.122971 0.784911
C -3.111342 -2.868275 -1.050897
C 2.903394 -3.551898 0.896637
H 1.188460 2.083973 0.972553
H -1.892628 1.985865 0.753819
H -0.939575 2.665735 2.082185
H 0.127745 4.287856 0.566444
H -0.722236 3.664083 -0.860466
H -0.880118 -0.306116 1.218358
H 0.027447 0.382891 2.578200
H -3.057555 0.365527 2.332841
H -2.148243 1.032892 3.703797
H -1.520513 1.533998 -1.358357
H 1.347919 4.925800 -1.549085
H 2.365694 3.833469 -0.566096
H 1.505055 3.201403 -1.997619
H 0.171772 -0.138472 -3.115501
H -1.535513 0.340877 -3.403369
H -1.233346 -2.143697 -3.016360
H -0.541030 -1.802076 -1.413548
H 3.397285 0.889102 -0.687191
H 2.540926 0.669393 0.865597
H -2.111916 -1.945910 2.816545
H -1.194254 -1.281621 4.196542
H -2.981370 -1.297448 4.237967
H 3.352451 -1.591729 -1.064121
H 4.237360 -1.123560 0.416112
H -2.747133 -0.749048 -0.705300
H -3.429935 -1.112405 -2.307710
H 2.191315 -1.696656 1.800970
H 1.328249 -2.152950 0.314948
H -2.413505 -3.228613 -0.271274
H -4.129631 -2.864434 -0.619677
H -3.096122 -3.604084 -1.877160
H 3.022979 -4.007518 -0.104684
H 3.898604 -3.546050 1.381517
H 2.242234 -4.210150 1.490696


