%chk=000236228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236228

0 1
O -0.980381 -1.717850 -0.312410
N -2.394824 -0.025942 0.334055
N -0.025611 0.355373 0.136592
C -3.562066 -0.927660 0.085498
C -2.687688 1.428758 0.355615
C -1.114483 -0.544720 0.007543
C 1.353913 0.004840 -0.020623
C 2.339193 0.969925 0.327211
C -4.314465 -1.181501 1.389743
C -2.666056 2.070838 -1.030915
C 1.744692 -1.244383 -0.530640
C 3.688449 0.647630 0.142233
C 1.976295 2.310937 0.883651
C 3.098153 -1.537749 -0.701206
C 4.073006 -0.595472 -0.368403
H -4.233804 -0.481374 -0.678485
H -3.192721 -1.898073 -0.333313
H -3.687373 1.571692 0.828631
H -1.958648 1.933334 1.030551
H -0.211198 1.296525 0.488288
H -3.648642 -1.606582 2.153839
H -4.742854 -0.265689 1.809789
H -5.132206 -1.894519 1.234024
H -1.698226 1.943178 -1.532590
H -3.421754 1.630899 -1.693897
H -2.869155 3.146082 -0.974328
H 0.989101 -1.995822 -0.790731
H 4.454281 1.377504 0.402467
H 2.866157 2.912360 1.119311
H 1.385654 2.900128 0.168957
H 1.409233 2.220386 1.820564
H 3.389151 -2.510227 -1.096615
H 5.126875 -0.825422 -0.503105


%chk=000236228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236228

0 1
O -1.086725 -1.847779 -0.340075
N -2.418900 0.018329 0.104045
N -0.062709 0.249946 0.026146
C -3.631216 -0.815050 -0.074641
C -2.605680 1.423770 0.516544
C -1.176262 -0.604601 -0.084919
C 1.316852 -0.097098 -0.030641
C 2.263173 0.966981 0.133872
C -4.137642 -1.431362 1.246860
C -2.607089 2.428306 -0.662265
C 1.769282 -1.427668 -0.236651
C 3.641517 0.657888 0.086292
C 1.804748 2.399184 0.360932
C 3.152700 -1.700005 -0.276143
C 4.098788 -0.663897 -0.116422
H -4.415146 -0.184783 -0.537802
H -3.376256 -1.621477 -0.781696
H -3.575042 1.486933 1.044074
H -1.842915 1.705105 1.270608
H -0.248604 1.245819 0.134346
H -3.366944 -2.097415 1.670117
H -4.380260 -0.653682 1.995239
H -5.051645 -2.027210 1.067125
H -1.649936 2.417092 -1.214904
H -3.406258 2.176634 -1.381502
H -2.783667 3.456880 -0.296915
H 1.030037 -2.219743 -0.365977
H 4.366926 1.471060 0.212463
H 2.671885 3.072546 0.461242
H 1.194441 2.786437 -0.481568
H 1.204651 2.504710 1.288528
H 3.487372 -2.731290 -0.435818
H 5.172524 -0.877157 -0.149192


