%chk=000217871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217871

0 1
O 0.019844 0.452842 0.290736
O 1.027638 -0.407067 2.126199
N -1.877549 2.198648 -0.607805
C -2.371218 0.926726 0.008558
C -1.299985 0.125102 0.830457
C -2.855522 -0.063703 -1.095770
C -1.602579 -1.319935 0.524821
C -2.487394 -1.422702 -0.575053
C -1.118444 -2.452153 1.162856
C -2.898931 -2.666519 -1.035003
C -1.215589 3.074975 0.405234
C -3.016288 2.938318 -1.238247
C -1.536439 -3.710863 0.697841
C -2.412747 -3.813899 -0.384086
C 1.125257 0.117593 1.036961
C 2.357498 0.517280 0.316039
C 3.599427 0.213320 0.896549
C 2.292440 1.183410 -0.917348
C 4.775759 0.578863 0.239347
C 3.474384 1.545800 -1.567877
C 4.712657 1.243805 -0.990908
H -3.222515 1.110766 0.717531
H -1.299766 0.373780 1.909753
H -2.326027 0.133909 -2.052435
H -3.932803 0.041317 -1.295866
H -0.422329 -2.362781 1.999969
H -3.576226 -2.758130 -1.878795
H -0.274159 2.591769 0.723449
H -1.818898 3.296853 1.296097
H -0.933151 4.028819 -0.067459
H -2.626017 3.859147 -1.701830
H -3.827410 3.216977 -0.550288
H -3.441235 2.332141 -2.053019
H -1.168531 -4.610568 1.187021
H -2.726132 -4.796787 -0.733841
H 3.633365 -0.306537 1.857494
H 1.314246 1.411613 -1.357669
H 5.741678 0.345392 0.684267
H 3.429485 2.062056 -2.525588
H 5.633007 1.526925 -1.501689


%chk=000217871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217871

0 1
O 0.079147 0.440610 0.137265
O 1.143738 -0.263911 2.094464
N -1.990196 2.290724 -0.433214
C -2.349805 0.917902 -0.029480
C -1.256189 0.145823 0.770466
C -2.700181 -0.033658 -1.216410
C -1.626553 -1.306457 0.530708
C -2.443205 -1.411291 -0.624735
C -1.240967 -2.447324 1.262396
C -2.891623 -2.672917 -1.061383
C -1.570716 3.133539 0.707363
C -3.061136 2.939631 -1.219446
C -1.692424 -3.715130 0.821853
C -2.509985 -3.825601 -0.330240
C 1.205723 0.191342 0.921192
C 2.467140 0.534231 0.201237
C 3.702341 0.251997 0.840451
C 2.453240 1.132791 -1.086223
C 4.916880 0.561314 0.194595
C 3.671924 1.442262 -1.726710
C 4.903684 1.156577 -1.090032
H -3.242478 0.920746 0.658183
H -1.179601 0.417846 1.835976
H -2.011488 0.168107 -2.059977
H -3.735590 0.089370 -1.578944
H -0.599402 -2.348581 2.144015
H -3.527514 -2.767159 -1.949273
H -0.677038 2.704621 1.188578
H -2.368076 3.256073 1.485105
H -1.300207 4.137531 0.335695
H -2.727929 3.948974 -1.518943
H -4.023832 3.046613 -0.655044
H -3.264452 2.364633 -2.138155
H -1.411005 -4.618164 1.375002
H -2.852730 -4.814454 -0.656483
H 3.685182 -0.206434 1.834827
H 1.491993 1.350923 -1.560172
H 5.870130 0.340939 0.687205
H 3.664010 1.905232 -2.719536
H 5.847994 1.397232 -1.591574


