%chk=000114987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114987

0 1
O -5.147101 -0.225252 0.273256
O -4.203976 1.615571 -0.332465
O 5.565337 -0.151708 0.049231
N -4.162557 0.435774 -0.021261
N 4.502213 -0.682052 0.045377
C -0.426228 -0.370794 0.015337
C 0.869236 0.273212 0.021036
C -1.619285 0.414178 -0.000041
C -0.498924 -1.791628 0.024105
C 2.059880 -0.510186 0.031235
C 0.955280 1.692697 0.016460
C -1.486302 1.860966 0.000444
C -2.858462 -0.263177 -0.003341
C -0.274130 2.463729 0.008105
C 0.730517 -2.563803 0.033920
C 1.941775 -1.958774 0.037029
C -1.754457 -2.425861 0.024670
C 3.308130 0.151718 0.035470
C 2.214224 2.321081 0.021010
C -2.918122 -1.670156 0.014397
C 3.374819 1.557585 0.030220
H -2.405655 2.464685 -0.013527
H -0.189264 3.553033 0.007305
H 0.643454 -3.652249 0.038837
H 2.867458 -2.544681 0.044326
H -1.814185 -3.515339 0.034617
H 2.276918 3.410054 0.017052
H -3.899210 -2.164404 0.022957
H 4.358215 2.038980 0.033538


%chk=000114987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114987

0 1
O -5.247212 -0.296631 0.294559
O -4.285502 1.656367 -0.357250
O 5.636492 -0.085633 0.050478
N -4.208262 0.408694 -0.019707
N 4.509432 -0.711691 0.043993
C -0.428720 -0.363484 0.009487
C 0.863652 0.270370 0.017803
C -1.638092 0.438732 -0.012057
C -0.497424 -1.804643 0.021156
C 2.067293 -0.525746 0.028671
C 0.964842 1.707153 0.017346
C -1.497565 1.880491 -0.007313
C -2.886898 -0.270077 -0.002372
C -0.247186 2.479375 0.011058
C 0.722241 -2.575913 0.030040
C 1.964386 -1.965864 0.032944
C -1.768282 -2.440975 0.027796
C 3.335719 0.145971 0.035457
C 2.250063 2.332161 0.026157
C -2.945777 -1.684048 0.023306
C 3.418298 1.566277 0.034561
H -2.398127 2.492919 -0.030982
H -0.172629 3.572577 0.016240
H 0.644608 -3.668782 0.036213
H 2.888447 -2.548697 0.040673
H -1.822508 -3.534603 0.035599
H 2.302924 3.426726 0.025793
H -3.928325 -2.160854 0.039097
H 4.413710 2.023029 0.040554


