%chk=000257695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257695

0 1
O 0.819059 1.937743 -0.569532
O -3.721926 -2.067071 -0.416847
O -1.905818 -2.427429 -1.658828
N 0.017046 -0.441093 -1.666696
C -0.390100 1.395065 -0.130422
C -1.216415 2.090132 0.742406
C -0.788515 0.146293 -0.731268
C -2.044658 -0.403264 -0.345282
C 1.944196 1.737090 0.337644
C -2.471845 1.523582 1.091469
C 2.515787 0.355107 0.177611
C -2.863188 0.311679 0.563645
C -0.812648 3.406306 1.311880
C 2.099820 -0.683182 1.023673
C 3.456860 0.097230 -0.830113
C -2.480020 -1.679008 -0.882635
C 2.623381 -1.968944 0.862143
C 3.978988 -1.189526 -0.986986
C 3.563133 -2.223624 -0.141953
H 1.633769 1.951787 1.374132
H 2.634086 2.529470 -0.012822
H -3.120614 2.060830 1.777966
H -3.828538 -0.127824 0.838984
H 0.040261 3.845005 0.769489
H -1.633702 4.136824 1.257650
H -0.530740 3.315641 2.370292
H 1.362037 -0.491276 1.802230
H 3.781543 0.899568 -1.491416
H -0.206412 -1.357299 -2.052755
H 0.930774 -0.051023 -1.860042
H 2.296084 -2.774445 1.518533
H 4.711785 -1.386644 -1.768151
H 3.970015 -3.225997 -0.265844
H -3.998882 -2.942003 -0.800953


%chk=000257695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257695

0 1
O 0.768482 1.907165 -0.719865
O -3.865624 -2.102668 -0.507298
O -2.089457 -2.286862 -1.980548
N -0.159485 -0.389520 -1.869013
C -0.439500 1.351035 -0.205626
C -1.186930 2.000265 0.793983
C -0.904279 0.152893 -0.853829
C -2.150449 -0.419171 -0.407882
C 1.974167 1.802237 0.180346
C -2.418627 1.408720 1.216279
C 2.578718 0.415863 0.169753
C -2.880496 0.224504 0.633883
C -0.725315 3.313043 1.397464
C 2.184406 -0.550802 1.129848
C 3.528031 0.054763 -0.821694
C -2.647474 -1.641667 -1.036822
C 2.717247 -1.858513 1.091339
C 4.065722 -1.250526 -0.859952
C 3.658297 -2.211173 0.096203
H 1.682280 2.103926 1.202785
H 2.662362 2.552859 -0.242495
H -3.005492 1.905491 1.996337
H -3.822803 -0.227075 0.955558
H -0.062150 3.857505 0.704415
H -1.592524 3.955557 1.629140
H -0.174664 3.159459 2.346601
H 1.452902 -0.279978 1.900818
H 3.845462 0.800499 -1.561516
H -0.498091 -1.247373 -2.316592
H 0.712523 0.068798 -2.126957
H 2.401351 -2.599600 1.833815
H 4.801478 -1.518280 -1.626510
H 4.073492 -3.224809 0.067323
H -4.118957 -2.926866 -1.002084


