%chk=000275058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275058

0 1
O 3.945247 -0.967177 -2.245113
O 1.866002 -0.098339 -2.431954
O 2.494575 -2.922239 1.077194
O -1.840557 3.001101 -0.109262
O -0.625713 1.151674 0.484106
N 1.587728 -0.974395 0.349991
N -0.101991 3.289769 1.296613
N -3.508575 -4.100139 2.964358
C 3.298679 0.849610 0.347480
C 2.510527 2.027739 -0.239256
C 2.878199 -0.529227 -0.195855
C 2.359537 3.186477 0.753114
C 1.254432 2.938131 1.792196
C 2.768003 -0.483332 -1.727067
C 1.491393 -2.221868 0.988607
C 0.166095 -2.627185 1.513030
C -0.801533 2.358173 0.533281
C -0.901004 -1.742434 1.729235
C 0.000282 -3.992633 1.826726
C -2.278569 -3.568338 2.543296
C -2.111034 -2.196622 2.243536
C -1.198480 -4.466933 2.336517
C 4.059794 -1.027595 -3.691366
C -2.667256 2.181222 -1.004057
C -2.053182 2.189158 -2.373781
C -2.575548 3.018816 -3.376839
C -0.951067 1.367905 -2.650836
C -4.551847 -3.213015 3.523333
C -2.001478 3.017559 -4.651129
C -0.375081 1.377195 -3.923950
C -0.900907 2.198279 -4.925850
H 3.194254 0.823524 1.452940
H 4.382053 0.991395 0.158885
H 3.013164 2.389911 -1.158363
H 1.507947 1.690563 -0.583755
H 3.672656 -1.295491 0.080911
H 2.159653 4.123522 0.196032
H 3.319678 3.364039 1.277903
H 1.252946 1.867541 2.112366
H 1.432468 3.548692 2.706352
H 0.789963 -0.336731 0.246445
H -0.273375 4.279229 1.108004
H -0.791899 -0.674731 1.499813
H 0.841891 -4.676108 1.666450
H -2.922448 -1.492925 2.399975
H -1.310104 -5.522790 2.564315
H 3.236821 -1.621423 -4.102207
H 4.050670 -0.013059 -4.098942
H 5.027653 -1.520262 -3.833445
H -2.761925 1.161758 -0.582807
H -3.633537 2.715231 -0.941720
H -3.479662 -5.021330 3.397477
H -3.424573 3.665896 -3.166434
H -0.529957 0.720499 -1.874213
H -4.222906 -2.663696 4.421636
H -5.440785 -3.810924 3.784034
H -4.866682 -2.473855 2.763890
H -2.410455 3.657751 -5.430236
H 0.491091 0.739281 -4.119033
H -0.454673 2.201159 -5.918274


%chk=000275058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275058

0 1
O 4.456994 -0.798973 -1.768205
O 2.229999 -0.393114 -2.310728
O 1.982189 -2.893033 -0.184558
O -1.606537 3.003460 0.263936
O -0.068988 1.528876 1.278736
N 1.619397 -0.721738 0.507398
N 0.411393 3.794728 0.941234
N -3.933829 -3.808081 2.259734
C 3.379923 1.049789 0.534001
C 2.814410 2.208830 -0.327118
C 2.977182 -0.381938 0.077394
C 2.866388 3.576796 0.396947
C 1.778799 3.755325 1.488745
C 3.124226 -0.535500 -1.449480
C 1.202507 -2.038259 0.366352
C -0.148339 -2.422434 0.879621
C -0.384175 2.682411 0.859998
C -0.953882 -1.606121 1.716228
C -0.639351 -3.710183 0.525627
C -2.699191 -3.340033 1.815782
C -2.207067 -2.050933 2.180630
C -1.885196 -4.163012 0.975015
C 4.744930 -0.992523 -3.208841
C -2.441691 1.838064 -0.218044
C -2.164113 1.564802 -1.679278
C -3.014766 2.092916 -2.683661
C -1.033025 0.798465 -2.064040
C -4.831396 -3.046878 3.123412
C -2.739264 1.860551 -4.049952
C -0.745732 0.577928 -3.428641
C -1.602198 1.105327 -4.423695
H 3.052665 1.151441 1.586968
H 4.484102 1.109147 0.533911
H 3.397898 2.275723 -1.265590
H 1.776455 1.991749 -0.638778
H 3.680680 -1.113084 0.515840
H 2.760463 4.394980 -0.343312
H 3.858359 3.711754 0.875599
H 1.817718 2.924751 2.214172
H 1.956250 4.694405 2.045119
H 0.997925 0.030039 0.836815
H 0.060170 4.648647 0.505048
H -0.613273 -0.612597 2.024794
H -0.005122 -4.339168 -0.107798
H -2.797252 -1.401443 2.834985
H -2.244659 -5.159027 0.685052
H 4.188400 -1.866544 -3.586122
H 4.452633 -0.098324 -3.785721
H 5.829569 -1.162458 -3.259462
H -2.210564 0.970955 0.423870
H -3.473322 2.182320 -0.046269
H -4.219816 -4.739099 1.963186
H -3.890751 2.687457 -2.394573
H -0.367414 0.368511 -1.307692
H -4.359885 -2.802686 4.097239
H -5.735722 -3.644293 3.325621
H -5.150283 -2.094768 2.651927
H -3.405890 2.266693 -4.819358
H 0.144338 -0.001326 -3.691802
H -1.386672 0.928735 -5.483921


