%chk=000198990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198990

0 1
O -5.424264 0.728781 1.381111
O -6.237055 1.267256 -0.782918
N -0.541903 -1.117344 0.591290
N 2.014240 -0.104744 1.563454
N 3.462636 1.102432 0.082410
N 4.048511 -1.147439 0.831888
C -0.015580 0.206341 0.118297
C 0.588666 -2.059757 0.889645
C 0.894927 0.814755 1.203161
C 1.494067 -1.441525 1.974623
C -1.460821 -1.723668 -0.429809
C -2.719032 -0.898731 -0.569952
C 3.181698 -0.065773 0.776935
C -3.408633 -0.497639 0.605768
C -3.197579 -0.575467 -1.840669
C -4.565893 0.218624 0.414533
C -5.054346 0.542918 -0.886818
C -4.391601 0.159747 -2.029775
C 4.674181 1.209893 -0.521319
C 5.625797 0.158257 -0.473304
C 5.247459 -1.005094 0.217612
C -6.501614 1.402746 0.651587
C 4.942214 2.488817 -1.242612
C 6.958996 0.270410 -1.125723
H -0.885303 0.879938 -0.050682
H 0.534720 0.140275 -0.844714
H 1.196240 -2.315759 -0.005259
H 0.156322 -3.008653 1.274021
H 1.292969 1.798815 0.866200
H 0.315571 0.998113 2.137450
H 0.918838 -1.286881 2.916718
H 2.335963 -2.130614 2.213473
H -1.750364 -2.740193 -0.068223
H -0.971882 -1.871766 -1.418548
H -3.017438 -0.739934 1.593194
H -2.648374 -0.891165 -2.726671
H -4.756864 0.404287 -3.022341
H 5.919114 -1.870795 0.286011
H -6.461355 2.470654 0.902523
H -7.438939 0.875986 0.872906
H 5.807939 3.011600 -0.810335
H 5.155436 2.310320 -2.305984
H 4.084500 3.180203 -1.189852
H 7.569797 -0.631803 -0.988041
H 6.862911 0.432567 -2.209100
H 7.534328 1.113309 -0.715259


%chk=000198990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198990

0 1
O -5.167854 1.209494 1.663454
O -6.576224 1.284174 -0.284553
N -0.671837 -1.251394 0.183881
N 1.986849 -0.323726 0.714382
N 3.672030 1.082781 -0.158176
N 4.222497 -1.081111 0.840945
C -0.139101 -0.052538 -0.514332
C 0.415688 -2.216098 0.486018
C 0.934536 0.639939 0.346444
C 1.496698 -1.552794 1.361975
C -1.805159 -1.879172 -0.535554
C -3.065009 -1.017551 -0.533498
C 3.326938 -0.102965 0.459066
C -3.424848 -0.306255 0.649880
C -3.896183 -0.961654 -1.678003
C -4.611521 0.423984 0.619946
C -5.439940 0.468385 -0.522338
C -5.109359 -0.216340 -1.692532
C 4.992855 1.307546 -0.405884
C 6.001246 0.359261 -0.046081
C 5.530166 -0.820663 0.578099
C -6.431593 1.768586 1.115003
C 5.342750 2.613756 -1.083875
C 7.472958 0.589264 -0.310569
H -0.971964 0.649504 -0.696744
H 0.304918 -0.326163 -1.505352
H 0.895872 -2.603356 -0.448742
H -0.014848 -3.077410 1.030677
H 1.404697 1.473463 -0.196526
H 0.458556 1.030249 1.269451
H 1.053233 -1.294457 2.345613
H 2.353381 -2.225818 1.517001
H -2.018508 -2.838962 -0.022044
H -1.542863 -2.137494 -1.593444
H -2.770708 -0.335286 1.525025
H -3.599947 -1.505737 -2.582200
H -5.748636 -0.173919 -2.577905
H 6.238156 -1.601989 0.884023
H -6.364581 2.870464 1.107935
H -7.280264 1.394737 1.714141
H 6.018862 3.222838 -0.453831
H 5.869105 2.439725 -2.041775
H 4.423682 3.186860 -1.278688
H 8.073959 -0.266554 0.044980
H 7.682766 0.720079 -1.389809
H 7.847747 1.496622 0.201420


