%chk=000259406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259406

0 1
O -2.410096 1.745807 0.346015
O 4.486970 -0.188711 0.067582
O -1.743898 1.333703 -1.784002
N -2.608811 -2.567966 0.103274
N -2.771951 -1.428314 -0.638014
C -1.055453 -0.915621 0.937179
C -1.439842 -2.423335 1.053256
C 0.403609 -0.712962 0.641121
C -1.998328 -0.469176 -0.185760
C 1.299122 -0.533217 1.714183
C 0.892262 -0.714911 -0.671188
C -2.025306 0.923169 -0.684845
C 2.657700 -0.362818 1.484225
C 2.255161 -0.541948 -0.930588
C 3.124870 -0.367928 0.152017
C -2.454849 3.187389 0.088482
C -1.051513 3.754875 0.095468
C 5.084800 -0.153582 -1.251179
H -1.341973 -0.368017 1.869915
H -0.597833 -3.092597 0.800170
H -1.791835 -2.682266 2.070573
H -2.650742 -3.429963 -0.447473
H 0.925010 -0.526125 2.738490
H 0.205068 -0.842023 -1.511976
H 3.364701 -0.222908 2.298652
H 2.612041 -0.539032 -1.955178
H -2.979878 3.356446 -0.868425
H -3.070337 3.526543 0.941876
H -1.060608 4.850428 0.062691
H -0.496467 3.449836 0.992143
H -0.475789 3.402759 -0.774442
H 6.144296 0.007312 -1.012047
H 4.682273 0.683244 -1.829303
H 4.938627 -1.110393 -1.760194


%chk=000259406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259406

0 1
O -1.844404 1.671054 0.644066
O 4.417850 0.161328 0.141964
O -2.992851 1.412128 -1.388766
N -2.182458 -2.683681 -0.480487
N -2.612119 -1.466293 -0.946993
C -1.171423 -1.066152 0.937061
C -1.497456 -2.601135 0.841523
C 0.301381 -0.735089 0.687326
C -2.096015 -0.513822 -0.166953
C 1.103300 -0.181073 1.718200
C 0.905041 -0.987076 -0.567948
C -2.374014 0.905828 -0.420892
C 2.464505 0.105589 1.509128
C 2.270948 -0.708522 -0.797663
C 3.054659 -0.160147 0.248302
C -1.987678 3.149432 0.516984
C -0.833584 3.736012 -0.302585
C 5.070322 -0.083715 -1.145968
H -1.457816 -0.663331 1.922020
H -0.587644 -3.223328 0.861214
H -2.178917 -2.925343 1.653959
H -2.647909 -3.511169 -0.847716
H 0.652775 0.038932 2.693524
H 0.301763 -1.400145 -1.385643
H 3.087720 0.535812 2.299060
H 2.703576 -0.912970 -1.781644
H -2.963666 3.371582 0.049718
H -1.975477 3.504074 1.560573
H -0.897533 4.840399 -0.304867
H 0.139840 3.443532 0.127799
H -0.881336 3.385173 -1.347066
H 6.113031 0.236966 -1.005659
H 4.602823 0.511021 -1.954914
H 5.043768 -1.158172 -1.413958


