%chk=000236210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236210

0 1
O 0.117644 2.621051 0.078508
N -2.520253 1.804466 -0.175662
C -2.041364 0.406994 0.082982
C -0.529417 0.305630 -0.265715
C -2.870837 -0.621468 -0.724354
C 0.378683 1.286277 0.557335
C -4.365649 -0.483266 -0.408195
C -4.859520 0.954015 -0.619846
C -3.970492 1.951246 0.143799
C -0.049610 -1.122216 -0.132289
C 1.849989 1.064852 0.212094
C 0.125745 1.262286 2.065046
C 0.653227 -1.712346 -1.196091
C -0.290510 -1.874543 1.028486
C 2.605885 0.082411 0.867129
C 2.455048 1.854989 -0.776233
C 1.105960 -3.030185 -1.097871
C 0.163059 -3.192780 1.122180
C 3.950626 -0.106314 0.535781
C 3.800267 1.666199 -1.103654
C 0.861358 -3.774964 0.060240
C 4.550590 0.684667 -0.448938
H -2.181888 0.206218 1.176455
H -0.404767 0.632908 -1.333425
H -2.534299 -1.650670 -0.494542
H -2.695768 -0.488495 -1.807656
H -4.557382 -0.794773 0.637095
H -4.947089 -1.178370 -1.043125
H -2.366381 2.040565 -1.165904
H -4.861678 1.196608 -1.699269
H -5.909009 1.049771 -0.286618
H -4.267983 2.996326 -0.086527
H -4.100852 1.820205 1.240062
H 0.296926 0.273651 2.501627
H 0.797471 1.969623 2.571032
H -0.899693 1.567447 2.304740
H -0.786014 2.920856 0.353929
H 0.861304 -1.136946 -2.097076
H -0.834642 -1.432183 1.861168
H 2.146845 -0.546474 1.629016
H 1.868461 2.630135 -1.276320
H 1.654358 -3.476778 -1.925909
H -0.028556 -3.767872 2.026443
H 4.530362 -0.872477 1.046177
H 4.263486 2.286697 -1.867900
H 1.214517 -4.800768 0.134821
H 5.597539 0.537397 -0.703928


%chk=000236210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236210

0 1
O -0.061033 2.590963 0.379133
N -2.425424 1.798902 -0.338592
C -2.034537 0.390234 0.040051
C -0.495495 0.203541 -0.188812
C -2.929743 -0.629698 -0.711242
C 0.389977 1.228715 0.684208
C -4.428698 -0.355097 -0.424269
C -4.820923 1.108626 -0.739948
C -3.857866 2.094979 -0.036608
C -0.073096 -1.255746 -0.034682
C 1.864731 1.137629 0.238915
C 0.250900 1.009181 2.211015
C 0.717347 -1.870509 -1.038954
C -0.441572 -2.037859 1.093754
C 2.741121 0.131089 0.720695
C 2.367694 2.081539 -0.692273
C 1.134460 -3.215323 -0.924051
C -0.025738 -3.381835 1.216234
C 4.081948 0.066956 0.279710
C 3.707330 2.017249 -1.137336
C 0.765689 -3.978737 0.206978
C 4.572309 1.008030 -0.654519
H -2.255074 0.304848 1.124411
H -0.292187 0.502388 -1.240172
H -2.670629 -1.661087 -0.414864
H -2.727794 -0.550939 -1.800889
H -4.632136 -0.562552 0.646999
H -5.058789 -1.053301 -1.007025
H -2.253566 1.927587 -1.351691
H -4.778134 1.278196 -1.835706
H -5.863192 1.308299 -0.423628
H -4.066558 3.138718 -0.333875
H -3.983726 2.032350 1.061397
H 0.613703 0.022465 2.544561
H 0.840320 1.788596 2.722573
H -0.801374 1.123607 2.530426
H -1.084910 2.536119 0.240225
H 1.022231 -1.281167 -1.911833
H -1.061320 -1.600252 1.885309
H 2.384470 -0.616304 1.437548
H 1.696027 2.876995 -1.026347
H 1.749328 -3.663013 -1.713021
H -0.321689 -3.964013 2.096692
H 4.741297 -0.719455 0.665189
H 4.078701 2.761120 -1.852435
H 1.087982 -5.021884 0.300698
H 5.613338 0.959450 -0.994854


