%chk=000211769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211769

0 1
O 4.414719 -0.309868 -0.030854
O 3.269479 2.141855 0.135000
O 2.647025 -2.618332 -0.334434
N -1.182574 0.193912 0.098773
N -1.891196 -1.179282 -1.782297
N -5.243682 1.543662 0.219492
C 3.035227 -0.174426 -0.100707
C 0.221750 0.031718 -0.025567
C 2.396062 1.085825 0.054255
C 2.227337 -1.324039 -0.202158
C 1.005913 1.200479 0.077270
C 0.821406 -1.225715 -0.170378
C -2.094908 -0.336933 -0.666246
C -3.522677 -0.070647 -0.336645
C -4.449965 -1.117114 -0.234869
C -3.955757 1.249368 -0.084026
C 5.128814 0.367653 -1.101697
C 2.712676 3.462503 0.362676
C 4.072761 -2.895784 -0.309762
C -5.776654 -0.819225 0.084492
C -6.136285 0.521385 0.300511
H 0.510496 2.157169 0.206037
H 0.234320 -2.140226 -0.203452
H -4.135853 -2.150752 -0.393361
H -3.251646 2.092527 -0.116918
H 4.980706 1.450864 -1.013575
H 4.799417 -0.000896 -2.074261
H 6.167219 0.093976 -0.891211
H 2.152757 3.481113 1.303050
H 2.093348 3.763679 -0.486424
H 3.620085 4.075351 0.433608
H 4.527141 -2.471526 0.594107
H 4.542664 -2.485478 -1.207137
H 4.086172 -3.990977 -0.299905
H -6.517529 -1.610661 0.173063
H -0.951850 -1.276600 -2.147446
H -2.611750 -1.237115 -2.484501
H -7.166172 0.803257 0.551699


%chk=000211769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211769

0 1
O 4.498266 -0.264024 -0.460113
O 3.343956 2.241169 -0.038784
O 2.807228 -2.570349 -0.618519
N -1.136202 0.251848 0.118349
N -1.825079 -1.191730 -1.694767
N -5.127412 1.355047 0.842506
C 3.101075 -0.122012 -0.346246
C 0.256038 0.077447 -0.078150
C 2.471735 1.141673 -0.117828
C 2.283853 -1.284002 -0.381438
C 1.072108 1.239006 0.014755
C 0.878887 -1.188472 -0.256204
C -2.059082 -0.356233 -0.602587
C -3.491600 -0.119704 -0.248282
C -4.531663 -1.016295 -0.605825
C -3.850702 1.048290 0.480761
C 5.127511 0.442436 -1.597547
C 2.755621 3.546308 0.275603
C 3.853453 -3.043503 0.315494
C -5.861141 -0.712636 -0.238675
C -6.113640 0.478011 0.478152
H 0.576008 2.193604 0.204852
H 0.305931 -2.120946 -0.235398
H -4.311207 -1.956623 -1.124159
H -3.063984 1.746429 0.781436
H 4.999457 1.532786 -1.492306
H 4.692966 0.093731 -2.553879
H 6.194007 0.173623 -1.548717
H 2.237060 3.524011 1.252873
H 2.048612 3.871058 -0.512207
H 3.607697 4.240455 0.321302
H 3.436779 -3.130572 1.337815
H 4.717972 -2.359899 0.313444
H 4.140257 -4.038882 -0.057241
H -6.683933 -1.388838 -0.490812
H -0.864955 -1.378454 -1.984589
H -2.576257 -1.421730 -2.340734
H -7.130625 0.748672 0.783867


