%chk=000271410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271410

0 1
O -2.970580 -1.146131 2.103703
N -3.330941 -1.394850 -0.140486
C -1.664853 -3.109355 -0.921665
C -0.468353 -2.302023 -0.496799
C -2.948613 -2.827012 -0.123196
C 1.806413 -0.821540 0.245215
C 0.421562 -1.828105 -1.474686
C -0.207094 -2.033539 0.855353
C 1.551143 -1.095414 -1.107333
C 0.920016 -1.298072 1.223920
C -3.444901 0.863318 0.863977
C 2.994828 -0.031684 0.634067
C -3.192799 -0.626589 1.021447
C -2.653212 1.500140 -0.240543
C 4.279436 -0.457180 0.259993
C 2.841928 1.149543 1.377840
C -1.264551 1.305908 -0.310550
C -3.292309 2.303505 -1.195836
C 5.398764 0.293354 0.628681
C 3.965267 1.896700 1.740653
C -0.524916 1.908745 -1.329646
C -2.544833 2.908134 -2.211294
C 5.244287 1.470720 1.367694
C -1.162638 2.711953 -2.281610
H -1.414443 -4.189184 -0.819836
H -1.863375 -2.959795 -2.003433
H -3.793348 -3.413487 -0.550998
H -2.831639 -3.160725 0.938410
H 0.233736 -2.028052 -2.527805
H -0.898290 -2.380247 1.629317
H -3.322932 -0.943742 -1.052403
H 2.234513 -0.729993 -1.872618
H 1.114177 -1.096486 2.277643
H -3.191365 1.358679 1.832649
H -4.536452 1.031982 0.741351
H 4.401228 -1.376622 -0.310129
H 1.846792 1.483400 1.667800
H -0.760244 0.677678 0.426510
H -4.367117 2.464132 -1.148639
H 6.394022 -0.040957 0.340529
H 3.843564 2.812997 2.316138
H 0.552553 1.748573 -1.380451
H -3.043540 3.534734 -2.949167
H 6.117486 2.053600 1.653074
H -0.583678 3.183289 -3.072941


%chk=000271410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271410

0 1
O -3.151410 -0.957265 2.140944
N -3.084109 -1.125935 -0.181692
C -1.453686 -2.876252 -0.963199
C -0.196479 -2.188565 -0.437032
C -2.767506 -2.560934 -0.208460
C 2.245622 -0.972396 0.491530
C 0.878486 -1.923706 -1.324584
C -0.032655 -1.826718 0.925084
C 2.074946 -1.331052 -0.873777
C 1.164341 -1.232774 1.377000
C -3.499166 1.099096 0.848900
C 3.509484 -0.343757 0.973557
C -3.222074 -0.414983 0.993962
C -3.201702 1.720931 -0.506242
C 4.762414 -0.672298 0.384467
C 3.498776 0.602766 2.035831
C -1.860943 1.832423 -0.966900
C -4.245436 2.201891 -1.338263
C 5.958557 -0.076919 0.838455
C 4.694118 1.197044 2.493222
C -1.574210 2.411568 -2.222357
C -3.961612 2.782270 -2.596700
C 5.931640 0.861614 1.896242
C -2.624405 2.889003 -3.042548
H -1.316341 -3.977590 -0.925391
H -1.577835 -2.627800 -2.036703
H -3.595096 -3.121136 -0.687077
H -2.719566 -2.887580 0.844506
H 0.773007 -2.177248 -2.387373
H -0.840572 -1.998427 1.645383
H -3.097337 -0.606643 -1.063135
H 2.872043 -1.114311 -1.594170
H 1.267480 -0.993203 2.441458
H -2.901078 1.578258 1.645278
H -4.559235 1.252636 1.125907
H 4.803347 -1.422614 -0.413444
H 2.544524 0.895351 2.488304
H -1.041357 1.463294 -0.337695
H -5.284899 2.126790 -0.995648
H 6.912491 -0.352688 0.374718
H 4.659216 1.928459 3.308574
H -0.534474 2.492255 -2.558489
H -4.780584 3.152843 -3.223458
H 6.860066 1.323188 2.250351
H -2.402094 3.341412 -4.015436


