%chk=000208907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208907

0 1
O -1.829496 0.257722 -0.166237
O -3.121844 -0.221595 -2.019226
N 3.632556 0.081196 0.614488
N -3.644227 1.560604 -0.598275
C 2.787541 -1.109824 0.900638
C 3.554607 -2.371404 0.388903
C 2.730927 -2.983561 -0.766789
C 1.458606 -1.159527 0.163490
C 1.440395 -2.215532 -0.782589
C 0.355988 -0.343363 0.337487
C 0.323400 -2.444960 -1.574084
C -0.767504 -0.603175 -0.477808
C -0.807287 -1.623871 -1.423808
C 3.302692 1.302976 1.401786
C 2.323263 2.181209 0.795070
C -2.919257 0.440648 -1.026063
C -3.411218 2.124974 0.760510
C -5.030067 1.664892 -1.124891
C -3.971161 1.259956 1.886183
C 1.524297 2.923312 0.282686
H 2.619670 -1.183205 2.002929
H 3.674931 -3.093115 1.212608
H 4.576526 -2.111055 0.060781
H 2.558850 -4.063535 -0.611439
H 3.260457 -2.888732 -1.732829
H 3.626995 0.291898 -0.390493
H 0.331971 0.469905 1.058303
H 0.309823 -3.250574 -2.305360
H -1.693174 -1.784265 -2.044599
H 2.984554 1.022459 2.435760
H 4.272986 1.858015 1.523133
H -2.307072 2.248466 0.886055
H -3.860376 3.142702 0.783580
H -5.089738 1.211190 -2.133857
H -5.294643 2.731352 -1.219642
H -5.771283 1.167008 -0.480090
H -5.053606 1.115379 1.803566
H -3.503580 0.264499 1.891307
H -3.773856 1.712756 2.865044
H 0.836457 3.553374 -0.161030


%chk=000208907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208907

0 1
O -2.149146 0.261270 -0.526643
O -3.637816 -0.854423 -2.010986
N 3.334686 0.382562 0.137895
N -4.241143 1.108843 -0.872733
C 2.569568 -0.703569 0.823497
C 3.294784 -2.079529 0.681769
C 2.760946 -2.693277 -0.650066
C 1.262745 -0.947375 0.076571
C 1.376571 -2.072787 -0.779121
C 0.079239 -0.192995 0.131724
C 0.285517 -2.444949 -1.586350
C -1.009356 -0.583226 -0.686212
C -0.922346 -1.703826 -1.547361
C 4.437525 0.980832 0.922951
C 4.022203 1.691956 2.165753
C -3.379978 0.086321 -1.214784
C -3.904022 2.177187 0.097550
C -5.606352 1.086984 -1.423797
C -4.194444 1.777593 1.560469
C 3.632328 2.278197 3.180526
H 2.392241 -0.445632 1.892357
H 3.008263 -2.727531 1.531910
H 4.393433 -1.971486 0.687943
H 2.741359 -3.797891 -0.630284
H 3.398307 -2.386768 -1.501996
H 2.706804 1.099903 -0.248934
H -0.031720 0.673462 0.792330
H 0.352323 -3.313382 -2.251711
H -1.779192 -1.987393 -2.159036
H 5.153212 0.181249 1.192226
H 4.987457 1.684903 0.270817
H -2.839750 2.436385 -0.016402
H -4.500564 3.066710 -0.180553
H -5.717214 0.198407 -2.062861
H -5.794006 1.993124 -2.030341
H -6.355782 1.042593 -0.610847
H -5.256033 1.505199 1.702183
H -3.570062 0.916282 1.853207
H -3.964763 2.619449 2.239269
H 3.302283 2.791829 4.065269


