%chk=000257728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257728

0 1
O 2.619673 2.350115 0.578748
N 4.425910 -1.192639 -0.199277
N 4.487221 1.214183 -0.091566
N 6.369596 0.013857 -0.938519
C 0.034149 -0.030712 -0.248002
C -1.426214 -0.008909 0.216958
C 0.999516 0.028019 0.946998
C -2.394670 -0.028171 -0.976458
C 2.428236 -0.036961 0.495646
C -3.823039 -0.028518 -0.503251
C 3.067863 -1.206998 0.221162
C 3.118548 1.273588 0.344726
C 2.468279 -2.568679 0.323198
C -4.523718 -1.236361 -0.363932
C -4.462609 1.181410 -0.190014
C 5.066500 0.067098 -0.372292
C -5.849190 -1.231563 0.079255
C -5.787345 1.180507 0.253041
C -6.484257 -0.024836 0.388124
H 0.232854 0.831369 -0.917426
H 0.230991 -0.934244 -0.853696
H -1.633150 -0.871552 0.879013
H -1.614823 0.893814 0.832472
H 0.836225 0.979177 1.506748
H 0.778221 -0.783572 1.667889
H -2.206125 0.849291 -1.629184
H -2.194497 -0.911827 -1.614492
H 4.867168 -2.054885 -0.508619
H 3.123567 -3.288671 0.833314
H 2.222718 -2.976551 -0.669735
H 1.522109 -2.550166 0.893333
H -4.035756 -2.178925 -0.600244
H -3.924506 2.122069 -0.290827
H -6.388383 -2.171303 0.183959
H -6.278465 2.121889 0.493912
H -7.515708 -0.022908 0.732058
H 6.786530 0.939372 -1.071531
H 7.022779 -0.617005 -0.487786


%chk=000257728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257728

0 1
O 2.260195 2.221148 0.243347
N 4.579589 -1.100543 -0.133782
N 4.341445 1.279634 -0.265706
N 6.389895 0.283662 -0.795052
C -0.002950 -0.156645 -0.293115
C -1.472357 -0.108836 0.176492
C 0.991061 -0.226262 0.900031
C -2.477218 -0.009191 -1.005385
C 2.438355 -0.177243 0.457648
C -3.923836 0.051023 -0.536978
C 3.245082 -1.285580 0.298584
C 2.986091 1.183009 0.144137
C 2.865469 -2.729981 0.530139
C -4.724265 -1.119073 -0.478092
C -4.492833 1.277384 -0.103173
C 5.070783 0.179645 -0.389690
C -6.052914 -1.069394 0.002724
C -5.819967 1.333617 0.377592
C -6.605915 0.158511 0.433795
H 0.228675 0.749212 -0.884877
H 0.150350 -1.030879 -0.959769
H -1.709997 -1.009236 0.779652
H -1.614509 0.762788 0.846215
H 0.808842 0.658955 1.537939
H 0.777178 -1.125230 1.508831
H -2.228793 0.894134 -1.596831
H -2.329915 -0.880931 -1.673230
H 5.171249 -1.924048 -0.255385
H 3.518021 -3.199574 1.291894
H 2.955886 -3.320273 -0.402498
H 1.826912 -2.814253 0.877723
H -4.302768 -2.074615 -0.815745
H -3.890490 2.193687 -0.147930
H -6.656477 -1.983982 0.036983
H -6.242486 2.290961 0.704154
H -7.636554 0.200596 0.804093
H 6.726227 1.225802 -0.979693
H 7.019138 -0.508198 -0.891338


