%chk=000220621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220621

0 1
O 5.191059 2.943052 0.395555
N -5.935810 -0.369949 0.074234
N -8.394894 1.167131 0.175557
N 1.541596 0.127898 -0.696924
N 3.124635 -2.140352 -0.428297
C -5.046924 -1.525085 0.434807
C -6.297000 0.436700 1.286989
C -7.188785 -0.866423 -0.588916
C -3.635512 -1.039275 0.809682
C -2.919311 -0.384700 -0.378222
C -7.153800 1.645563 0.860634
C -8.047975 0.339265 -1.021268
C -1.519032 0.105475 0.010099
C -0.810235 0.762875 -1.180812
C 0.596199 1.263177 -0.826990
C 2.861306 0.292646 -0.347799
C 3.703361 -0.902941 -0.214077
C 3.434317 1.545064 -0.124754
C 5.077668 -0.752691 0.130437
C 4.805490 1.633940 0.216372
C 5.635006 0.532144 0.347949
C 5.857259 -1.952428 0.245830
C 5.272547 -3.173303 0.029259
C 3.881987 -3.227754 -0.310374
C 6.571490 3.203715 0.748581
H -5.457218 -2.141530 1.264204
H -4.977355 -2.194318 -0.451468
H -6.845504 -0.156646 2.050930
H -5.356510 0.797532 1.756599
H -6.900676 -1.451732 -1.487292
H -7.789691 -1.532932 0.067712
H -3.691829 -0.323731 1.653840
H -3.048415 -1.901886 1.180276
H -2.855098 -1.099949 -1.219872
H -3.535965 0.459035 -0.753030
H -6.543250 2.325173 0.226692
H -7.463595 2.216628 1.761931
H -8.997923 -0.024359 -1.468342
H -7.507350 0.914581 -1.804511
H -0.915140 -0.739629 0.394597
H -1.590000 0.824956 0.849096
H -8.948181 1.977989 -0.124601
H -0.766073 0.058043 -2.035791
H -1.411022 1.621699 -1.544537
H 0.963888 1.956168 -1.621084
H 0.576609 1.846419 0.123895
H 1.170510 -0.812899 -0.835713
H 2.868461 2.466184 -0.204916
H 6.679707 0.619127 0.607953
H 6.910870 -1.866453 0.506438
H 5.836397 -4.099668 0.108775
H 3.398830 -4.194205 -0.485380
H 6.583098 4.298395 0.822324
H 7.237330 2.855089 -0.046178
H 6.809552 2.741175 1.710800


%chk=000220621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220621

0 1
O 5.391612 3.016389 0.310190
N -5.976260 -0.441491 0.088838
N -8.399483 1.104430 0.173586
N 1.539058 0.259630 -0.622640
N 2.983979 -2.007046 -0.322964
C -5.069938 -1.577085 0.397603
C -6.342426 0.350147 1.291973
C -7.198391 -0.882641 -0.633079
C -3.631305 -1.141563 0.755121
C -2.926427 -0.375687 -0.384690
C -7.193952 1.569058 0.894139
C -8.048553 0.333902 -1.039862
C -1.499641 0.086669 -0.015382
C -0.807144 0.849117 -1.169305
C 0.606090 1.365956 -0.832424
C 2.869905 0.410593 -0.311707
C 3.651105 -0.811843 -0.151386
C 3.511624 1.651325 -0.143883
C 5.055427 -0.724224 0.170948
C 4.901820 1.706687 0.176079
C 5.682868 0.551187 0.335770
C 5.753936 -1.969269 0.309651
C 5.073115 -3.178848 0.133823
C 3.680626 -3.155008 -0.182925
C 6.808585 3.176060 0.639118
H -5.481182 -2.212040 1.225648
H -5.027604 -2.218599 -0.505267
H -6.921392 -0.270504 2.022873
H -5.421361 0.699272 1.792182
H -6.890269 -1.438365 -1.538669
H -7.827765 -1.560994 -0.002536
H -3.635227 -0.519898 1.673131
H -3.052102 -2.053535 1.007964
H -2.880306 -1.026809 -1.283452
H -3.550368 0.494650 -0.666444
H -6.556092 2.249040 0.276419
H -7.503922 2.114184 1.804834
H -8.977063 -0.012292 -1.530422
H -7.462049 0.934597 -1.778393
H -0.892752 -0.793518 0.280910
H -1.542615 0.744259 0.877999
H -9.067551 1.862334 -0.015012
H -0.751537 0.199101 -2.066934
H -1.432708 1.718630 -1.451999
H 0.971020 2.015890 -1.657964
H 0.560311 2.003950 0.078191
H 1.230980 -0.714342 -0.713478
H 2.975491 2.597185 -0.251938
H 6.747652 0.596584 0.580668
H 6.822838 -1.959936 0.554119
H 5.589153 -4.138990 0.235106
H 3.123277 -4.087895 -0.325490
H 6.972182 4.262571 0.692559
H 7.455044 2.738185 -0.146329
H 7.048786 2.712839 1.616031


