%chk=000271054.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271054

0 1
O 1.903058 0.725140 1.797029
O -6.613643 2.260855 -0.852475
N 3.085892 -0.415126 0.102993
N 2.855749 -1.508730 -0.731412
N -0.292718 -0.652569 0.149647
N -1.340232 -1.068560 0.684768
C 0.952489 -1.274379 0.653482
C 1.674704 -2.025262 -0.475995
C 1.972072 -0.144394 0.974640
C 4.304039 0.341090 -0.047164
C 1.085477 -3.187714 -1.164115
C 4.516458 1.464639 0.771416
C 5.269267 -0.051087 -0.994005
C -2.598832 -0.492857 0.262744
C 5.702190 2.189436 0.634426
C 6.445645 0.689472 -1.111520
C 6.667901 1.808506 -0.301562
C -5.142368 0.479353 -0.360094
C -3.692706 -1.377588 0.226223
C -2.769138 0.874977 -0.006409
C -4.958565 -0.884535 -0.089488
C -4.043547 1.353115 -0.312448
C -6.481306 1.064878 -0.699495
C -7.643762 0.126994 -0.847434
H 0.835732 -1.932021 1.556302
H 0.739751 -3.952957 -0.452295
H 1.803728 -3.672590 -1.848145
H 0.215908 -2.884775 -1.773105
H 3.770934 1.776874 1.507575
H 5.102768 -0.921443 -1.629964
H 5.870558 3.061217 1.267023
H 7.196309 0.390538 -1.842961
H 7.588068 2.379631 -0.400684
H -3.548303 -2.435364 0.448201
H -1.915118 1.554968 0.026005
H -5.803456 -1.573787 -0.117811
H -4.199604 2.418434 -0.520957
H -7.872945 -0.393816 0.091393
H -7.468390 -0.630511 -1.621849
H -8.552865 0.679647 -1.136378


%chk=000271054-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271054

0 1
O 1.646352 0.495692 1.742192
O -6.670442 1.690667 -1.868515
N 3.055499 -0.390617 0.018573
N 2.971908 -1.419658 -0.982397
N -0.321846 -0.829941 -0.259124
N -1.330529 -1.172240 0.488820
C 0.945917 -1.411559 0.245116
C 1.789582 -1.992773 -0.879621
C 1.885849 -0.293806 0.797411
C 4.262399 0.372643 0.105199
C 1.345884 -3.084431 -1.800246
C 4.386744 1.423238 1.052745
C 5.336669 0.066493 -0.770340
C -2.593659 -0.613561 0.080404
C 5.590422 2.157407 1.111855
C 6.529838 0.813123 -0.694244
C 6.666862 1.861792 0.244914
C -5.186315 0.354266 -0.523519
C -3.704500 -1.028065 0.857060
C -2.773880 0.295948 -1.001161
C -4.993588 -0.548004 0.556360
C -4.060442 0.768358 -1.294500
C -6.543126 0.899034 -0.888872
C -7.753368 0.482287 -0.061015
H 0.748196 -2.144725 1.055078
H 1.091506 -4.002503 -1.237625
H 2.137480 -3.320041 -2.528940
H 0.434007 -2.776444 -2.345825
H 3.558468 1.654893 1.725327
H 5.221804 -0.743099 -1.494047
H 5.681812 2.967466 1.843885
H 7.355116 0.572557 -1.373590
H 7.596336 2.438499 0.299432
H -3.528620 -1.719951 1.686844
H -1.901251 0.612569 -1.580019
H -5.843184 -0.875569 1.163541
H -4.236184 1.468342 -2.118062
H -7.627148 0.768885 0.999700
H -7.899032 -0.613713 -0.093414
H -8.650338 0.976241 -0.463279


