%chk=000219022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219022

0 1
O -3.099221 2.309714 0.421754
O 8.338557 -2.612575 -1.002337
N 2.129368 -0.204145 0.492401
N 2.261013 1.116602 0.227029
N -3.418220 -0.403191 1.011721
N 4.634614 -2.679966 -0.811551
N -5.364782 -3.502392 0.121687
N 0.828218 5.362244 -0.408142
C 0.046829 0.620932 0.492814
C 0.774566 -0.582774 0.650424
C -1.348862 0.741700 0.583847
C 1.003516 1.660268 0.230502
C -2.054760 -0.454276 0.863613
C 0.493817 2.999640 0.034610
C 3.300665 -1.099986 0.487395
C -1.894367 2.080382 0.380098
C -0.909820 3.193178 0.106575
C 0.054640 -1.775857 0.923602
C -1.312746 -1.699476 1.017002
C 3.522996 -1.693572 -0.923932
C -4.280612 -1.586725 1.199166
C 1.320890 4.117036 -0.224762
C -1.411407 4.487638 -0.084133
C -4.669455 -2.206593 -0.163624
C -0.519086 5.539067 -0.337747
C 5.973735 -2.077469 -1.077376
C 7.043199 -3.083147 -0.612947
C -5.183303 -4.460972 -1.008756
C -6.818170 -3.283956 0.386250
H 4.204527 -0.534117 0.817161
H 3.143350 -1.914358 1.232251
H 0.583197 -2.719526 1.052099
H -1.888097 -2.603918 1.223713
H 3.711500 -0.874687 -1.653149
H 2.599137 -2.209031 -1.266553
H -3.892055 0.505055 0.850329
H -3.776244 -2.353613 1.833674
H -5.188926 -1.271716 1.760976
H 2.410818 4.000406 -0.284787
H -2.489914 4.660899 -0.032373
H -5.276869 -1.491443 -0.756453
H -3.748814 -2.394248 -0.758752
H 4.472522 -3.456840 -1.462243
H -0.875982 6.563591 -0.491798
H 6.146336 -1.817845 -2.145142
H 6.075046 -1.127687 -0.509344
H 7.010595 -3.250088 0.477398
H 6.966619 -4.054666 -1.136871
H -4.109311 -4.673798 -1.132388
H -5.585944 -4.122646 -1.974588
H -5.670544 -5.415293 -0.748741
H -6.935402 -2.600272 1.241593
H -7.274037 -4.244425 0.678319
H -7.388634 -2.876800 -0.461551
H 8.585316 -1.815260 -0.493963


%chk=000219022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219022

0 1
O -3.130088 2.300161 0.400883
O 8.586876 -2.197171 -0.841625
N 2.093906 -0.390255 0.480677
N 2.294638 0.970003 0.218919
N -3.487747 -0.369639 0.900920
N 4.823573 -2.597844 -0.947091
N -5.504754 -3.508757 0.138855
N 0.983211 5.266055 -0.416727
C 0.053678 0.518785 0.460356
C 0.732924 -0.707029 0.623787
C -1.340384 0.686236 0.539629
C 1.029876 1.519598 0.214757
C -2.122432 -0.494082 0.804350
C 0.575395 2.884535 0.018166
C 3.246405 -1.294500 0.461539
C -1.860321 2.034586 0.348516
C -0.849467 3.118422 0.086188
C -0.026366 -1.880017 0.890049
C -1.425563 -1.757487 0.970601
C 3.611104 -1.762366 -0.975884
C -4.426073 -1.469323 1.140354
C 1.428794 3.996192 -0.234342
C -1.304878 4.447692 -0.105379
C -4.741651 -2.274958 -0.149940
C -0.374640 5.473770 -0.350079
C 6.116745 -1.892107 -1.057611
C 7.271986 -2.816793 -0.624058
C -5.469867 -4.463278 -0.990323
C -6.889743 -3.247010 0.586351
H 4.100540 -0.757809 0.906449
H 3.027375 -2.173352 1.091289
H 0.439443 -2.860859 1.032180
H -2.011798 -2.658803 1.173795
H 3.720198 -0.859096 -1.617529
H 2.770399 -2.353463 -1.384320
H -3.826058 0.602383 0.753985
H -4.029465 -2.168964 1.900036
H -5.349479 -1.029617 1.555731
H 2.512401 3.846882 -0.289339
H -2.379242 4.647750 -0.057674
H -5.265843 -1.604601 -0.878915
H -3.782725 -2.568495 -0.616611
H 4.768137 -3.412736 -1.566848
H -0.701767 6.507954 -0.501133
H 6.329142 -1.512043 -2.084452
H 6.087611 -1.006860 -0.391244
H 7.126210 -3.125955 0.431243
H 7.294736 -3.725608 -1.251090
H -4.422024 -4.699767 -1.247456
H -5.975350 -4.080632 -1.912895
H -5.969290 -5.403393 -0.694835
H -6.892322 -2.644402 1.510515
H -7.388136 -4.205626 0.814392
H -7.503620 -2.710601 -0.181515
H 8.675794 -1.406706 -0.251598


