%chk=000208617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208617

0 1
O -2.988829 -2.139176 0.008881
O -4.386290 0.440328 0.135193
O 5.346231 -2.037231 0.231444
N 1.964903 1.505218 -0.113814
N 3.958109 -2.061424 0.392520
C 1.300573 0.174871 -0.349576
C 1.925990 -0.813112 0.665352
C 1.244217 2.613161 -0.811476
C -0.207089 0.250165 -0.188554
C 3.407791 1.437288 -0.513045
C -0.120989 2.775693 -0.125062
C -0.882779 1.482323 -0.096954
C 4.135943 0.444938 0.408905
C 3.420252 -0.878439 0.470523
C -0.943064 -0.943976 -0.191165
C -2.277861 1.514552 0.045229
C -2.333520 -0.913559 -0.063903
C -3.004876 0.321726 0.073115
C -3.879797 -2.387752 -1.113999
C -4.996973 -0.247495 1.262275
H 1.502668 -0.204836 -1.391090
H 1.456483 -1.814180 0.574927
H 1.713248 -0.466768 1.701557
H 1.111009 2.437497 -1.900505
H 1.833298 3.548779 -0.700904
H 3.854121 2.447887 -0.388310
H 3.554488 1.145044 -1.575734
H -0.701381 3.572637 -0.629153
H 0.031819 3.117789 0.924338
H 4.193766 0.860734 1.439259
H 5.185164 0.312326 0.070718
H -0.449593 -1.912162 -0.289015
H -2.812908 2.458957 0.135356
H 5.575333 -3.022468 0.191146
H -4.610212 -1.576895 -1.212320
H -4.357072 -3.330478 -0.827003
H -3.288751 -2.502899 -2.026327
H -4.681739 -1.296954 1.299018
H -6.064836 -0.152290 1.040252
H -4.732344 0.277581 2.184101


%chk=000208617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208617

0 1
O -3.059968 -2.173442 -0.085943
O -4.446406 0.399175 0.189921
O 5.483324 -1.950634 0.296789
N 1.974586 1.481555 -0.168214
N 4.009941 -2.054639 0.426903
C 1.321353 0.157555 -0.347989
C 1.950461 -0.839702 0.672687
C 1.260024 2.579680 -0.856637
C -0.202428 0.238726 -0.202066
C 3.418960 1.421706 -0.484549
C -0.103602 2.790682 -0.179397
C -0.880813 1.485119 -0.115374
C 4.159610 0.474294 0.491263
C 3.459273 -0.865448 0.531602
C -0.964419 -0.956013 -0.206863
C -2.289602 1.499374 0.025680
C -2.366498 -0.937204 -0.090066
C -3.039054 0.308828 0.065084
C -3.985049 -2.355944 -1.228732
C -4.996809 -0.245495 1.405474
H 1.543340 -0.241269 -1.376363
H 1.553737 -1.858643 0.531671
H 1.673682 -0.495289 1.687834
H 1.116477 2.372174 -1.947577
H 1.872500 3.496105 -0.772471
H 3.838414 2.440296 -0.393822
H 3.600036 1.076180 -1.534854
H -0.688381 3.554967 -0.726270
H 0.070375 3.178359 0.843435
H 4.131097 0.922046 1.503637
H 5.214056 0.350791 0.195007
H -0.485778 -1.934713 -0.318788
H -2.830313 2.448623 0.112209
H 5.740644 -2.904628 0.218259
H -4.740447 -1.549894 -1.258630
H -4.466700 -3.331899 -1.063536
H -3.417064 -2.372212 -2.178402
H -4.719135 -1.314082 1.446802
H -6.088899 -0.130979 1.328633
H -4.626022 0.273289 2.309851


