%chk=000216587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216587

0 1
O 0.535223 2.794423 -0.382669
O 4.048903 -1.653209 -1.442201
O 5.684614 -0.796913 0.843202
N -4.774646 -2.073152 0.152810
N -0.453466 0.730657 -0.035001
C -2.427474 -1.375115 0.286517
C -2.807020 0.039374 -0.051035
C -3.563277 -2.095809 1.031213
C -5.258751 -0.671816 -0.074075
C -4.160881 0.352166 -0.239963
C -1.836190 1.063606 -0.217507
C -4.547960 1.659797 -0.582539
C -5.868404 -2.902090 0.742388
C -2.230665 2.366253 -0.556593
C -3.584856 2.653867 -0.738126
C 0.642870 1.609851 -0.141087
C 1.959723 0.927095 0.096437
C 2.387870 -0.101211 -0.751066
C 2.763291 1.368181 1.156510
C 3.638875 -0.686550 -0.531319
C 4.464609 -0.228143 0.522614
C 4.016075 0.791949 1.372882
C 4.194173 -2.978904 -0.859239
C 6.667737 -0.778400 -0.230766
H -2.210418 -1.918540 -0.661660
H -1.507656 -1.422662 0.901938
H -3.281939 -3.155422 1.210664
H -3.728534 -1.627091 2.024705
H -5.946376 -0.318770 0.730003
H -5.858412 -0.711967 -1.017070
H -5.598717 1.896779 -0.729872
H -6.733838 -2.893542 0.059904
H -6.209454 -2.586445 1.739162
H -5.525333 -3.947585 0.806912
H -1.484616 3.158460 -0.682713
H -3.884948 3.667241 -1.005065
H -0.262561 -0.245330 0.216365
H 1.777352 -0.445466 -1.587397
H 2.415971 2.177447 1.802859
H 4.659309 1.127239 2.186858
H 4.611477 -3.552398 -1.694433
H 3.210163 -3.357610 -0.571277
H 4.878708 -2.953084 -0.004301
H 6.252974 -1.194548 -1.156160
H 7.465029 -1.408778 0.177505
H 7.008047 0.250862 -0.377015


%chk=000216587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216587

0 1
O 0.534103 3.004606 0.201765
O 3.585296 -2.246745 -0.475599
O 5.893315 -0.583371 0.252272
N -4.650579 -2.017941 -0.334142
N -0.491162 0.889387 0.136140
C -2.344978 -1.305456 0.198752
C -2.813648 0.140989 0.067102
C -3.498213 -2.262962 0.556391
C -5.233932 -0.684714 -0.078950
C -4.193302 0.428597 -0.065287
C -1.874139 1.223727 0.054027
C -4.632484 1.770908 -0.174353
C -5.667384 -3.083182 -0.273819
C -2.319227 2.566502 -0.047599
C -3.700766 2.827061 -0.157867
C 0.617285 1.736461 0.172787
C 1.959862 1.045848 0.194760
C 2.163797 -0.317394 -0.144016
C 3.081038 1.831888 0.566638
C 3.453034 -0.885314 -0.112684
C 4.578088 -0.074607 0.221373
C 4.373738 1.276570 0.579131
C 4.108834 -3.122154 0.601176
C 6.402626 -1.088470 -1.047219
H -1.893340 -1.642941 -0.757041
H -1.571084 -1.402775 0.990396
H -3.166559 -3.309326 0.426684
H -3.774900 -2.130971 1.635755
H -5.786708 -0.668241 0.901012
H -5.982687 -0.473919 -0.866080
H -5.703885 1.981922 -0.276916
H -6.469108 -2.872894 -1.004575
H -6.141782 -3.187402 0.735812
H -5.209355 -4.052164 -0.540259
H -1.585271 3.373189 -0.039386
H -4.044287 3.863950 -0.240841
H -0.289822 -0.109212 0.190165
H 1.353718 -0.981660 -0.468271
H 2.910860 2.883010 0.817870
H 5.249083 1.876308 0.847253
H 4.189665 -4.122684 0.150289
H 3.397967 -3.145865 1.448713
H 5.096233 -2.772695 0.952406
H 5.742936 -1.875053 -1.454610
H 7.402630 -1.492415 -0.829522
H 6.481097 -0.253702 -1.768331


