%chk=000245790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245790

0 1
O 3.020800 -1.404861 0.864457
O 2.532787 2.356371 0.980540
O -0.249779 0.623293 -1.320424
O 4.351765 1.904333 -0.240054
N -1.220875 -0.048675 0.662905
C 1.223772 0.017457 0.495712
C 2.404052 0.440492 -0.433161
C 1.557265 -1.496645 0.762158
C 3.259480 -0.879070 -0.491052
C 1.413913 -2.255286 -0.561489
C 2.454331 -1.879730 -1.325217
C -0.126434 0.238928 -0.174614
C 3.228194 1.590217 0.072479
C -2.607199 0.057559 0.306012
C -3.552156 -0.275462 1.299767
C -3.029283 0.467486 -0.969157
C -4.912638 -0.194442 1.002132
C -4.396302 0.540858 -1.243491
C -5.340567 0.211981 -0.266204
H 1.276250 0.586745 1.456373
H 2.018173 0.719273 -1.453962
H 1.169756 -1.942654 1.677240
H 4.335688 -0.777300 -0.647512
H 0.607096 -2.931440 -0.762664
H 2.730627 -2.163815 -2.321305
H -1.039641 -0.339749 1.625726
H 3.062564 3.136800 1.303064
H -3.235658 -0.591270 2.289898
H -2.298539 0.729957 -1.741327
H -5.646228 -0.450236 1.766531
H -4.726024 0.859587 -2.232911
H -6.402893 0.272697 -0.490250


%chk=000245790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245790

0 1
O 3.069070 -1.498509 0.884142
O 2.280702 2.380295 1.079177
O -0.233171 0.250556 -1.513594
O 4.320560 1.914404 0.080736
N -1.239579 0.014041 0.597579
C 1.196564 -0.143045 0.447386
C 2.413149 0.417347 -0.351673
C 1.615113 -1.679516 0.600300
C 3.367185 -0.846991 -0.433372
C 1.629564 -2.325928 -0.788378
C 2.719619 -1.816240 -1.422960
C -0.144293 0.073127 -0.261442
C 3.125160 1.602259 0.271499
C -2.628563 0.117404 0.291790
C -3.540767 0.036570 1.378967
C -3.119987 0.292436 -1.029487
C -4.928157 0.129139 1.151495
C -4.513312 0.383158 -1.239362
C -5.424598 0.303114 -0.161795
H 1.176153 0.294895 1.459368
H 2.076471 0.721502 -1.362943
H 1.130490 -2.220033 1.423218
H 4.435478 -0.619619 -0.518666
H 0.857361 -2.986473 -1.184363
H 3.037822 -1.963757 -2.455856
H -1.019515 -0.093296 1.591239
H 2.791756 3.165708 1.417050
H -3.163710 -0.097984 2.401600
H -2.415087 0.358430 -1.859743
H -5.619760 0.065641 1.998685
H -4.886786 0.519368 -2.260468
H -6.502637 0.375396 -0.339929


