%chk=000198863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198863

0 1
O 0.694868 -0.332434 -0.451747
O -1.854464 0.762782 -2.631194
O 6.909972 -0.272494 0.459357
O 6.221118 -1.208484 2.283874
N -5.380342 -0.233687 0.302365
N -1.838544 -0.731150 -0.888702
N 6.029602 -0.696753 1.191896
C -3.917854 0.073170 0.228504
C -6.150677 0.523081 -0.740117
C -5.925556 -0.050369 1.678740
C -3.313166 -0.873390 -0.833584
C -7.505871 -0.144443 -0.976056
C -5.845159 1.364584 2.257505
C -1.242161 0.135457 -1.783259
C 0.286631 0.247891 -1.722775
C 2.029791 -0.369254 -0.152270
C 3.061807 0.111435 -0.974232
C 2.283960 -0.957936 1.109216
C 4.641368 -0.582938 0.725331
C 4.375450 0.000245 -0.525155
C 3.594611 -1.061957 1.542977
H -3.697227 1.130729 -0.030705
H -3.439988 -0.111673 1.213708
H -6.292399 1.593549 -0.475428
H -5.565758 0.507431 -1.688046
H -6.986957 -0.388117 1.658918
H -5.389892 -0.763550 2.344544
H -3.746355 -0.652765 -1.838974
H -3.565226 -1.931928 -0.599626
H -7.994818 0.268065 -1.864965
H -8.184841 -0.007990 -0.127272
H -7.391353 -1.226220 -1.128016
H -6.293477 1.405157 3.256465
H -6.380846 2.088719 1.632405
H -4.811989 1.714487 2.349697
H -1.296638 -1.180086 -0.152354
H 0.747727 -0.316461 -2.554362
H 0.592282 1.310581 -1.756329
H 2.859316 0.563963 -1.941496
H 1.452212 -1.315397 1.714507
H 5.208788 0.364619 -1.139598
H 3.834455 -1.511869 2.514752


%chk=000198863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198863

0 1
O 0.773323 -0.552609 -0.323618
O -1.930909 0.606037 -2.472596
O 7.122302 0.063536 0.150573
O 6.669844 -1.286863 1.935329
N -5.492087 -0.156570 0.319468
N -1.849043 -0.776972 -0.583719
N 6.304728 -0.599808 0.901972
C -4.026272 0.032359 0.383607
C -6.108240 0.516570 -0.854702
C -6.194932 0.048695 1.611197
C -3.301908 -1.007776 -0.513897
C -7.514277 -0.014028 -1.190513
C -6.226692 1.504244 2.154432
C -1.288901 0.022347 -1.545791
C 0.234908 0.192919 -1.479116
C 2.148134 -0.517498 -0.085305
C 3.074001 0.198795 -0.889371
C 2.591184 -1.259986 1.041491
C 4.869369 -0.571770 0.561125
C 4.441770 0.169327 -0.561199
C 3.953638 -1.289478 1.368408
H -3.705346 1.052791 0.067117
H -3.692606 -0.101068 1.430628
H -6.148823 1.626575 -0.723239
H -5.446244 0.339422 -1.722318
H -7.230537 -0.323502 1.503576
H -5.709194 -0.607932 2.358786
H -3.698238 -0.946958 -1.541575
H -3.495770 -2.023903 -0.129084
H -7.876772 0.440001 -2.130979
H -8.250245 0.225670 -0.401820
H -7.488282 -1.110899 -1.316371
H -6.737222 1.533995 3.135075
H -6.769799 2.183175 1.472418
H -5.204829 1.903731 2.291373
H -1.223492 -1.178680 0.118941
H 0.672004 -0.188777 -2.421415
H 0.463399 1.271240 -1.382576
H 2.744598 0.772902 -1.759218
H 1.853917 -1.801855 1.640464
H 5.181633 0.709033 -1.158110
H 4.324308 -1.851832 2.229053


