%chk=000244089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244089

0 1
O -4.688072 -2.063723 -0.088872
O -0.249285 1.124168 0.577872
O 0.537802 -2.098644 1.390503
O 1.095881 0.257523 -2.273234
N 4.263218 -0.114562 1.291736
C -1.266240 -0.982993 0.304053
C 0.847655 -1.677703 -0.931005
C 0.086788 -1.619065 0.379715
C -1.415982 0.415673 0.400086
C -2.400385 -1.773812 0.148276
C 1.507877 -0.367440 -1.319673
C -3.664891 -1.151831 0.076476
C 2.702152 0.079180 -0.553380
C -2.672331 1.030458 0.329423
C -3.811147 0.238832 0.163705
C 3.413830 1.191846 -1.039217
C 3.160112 -0.541184 0.626965
C 4.545895 1.639134 -0.359099
C 4.942434 0.956559 0.803272
C -6.040185 -1.551638 -0.152368
H 0.152107 -1.976021 -1.750552
H 1.611031 -2.484856 -0.884678
H -2.336235 -2.860895 0.086721
H -2.765186 2.111318 0.402181
H -4.789192 0.709697 0.106138
H 3.068557 1.693435 -1.949697
H 2.638546 -1.403602 1.077755
H 5.111089 2.495833 -0.718027
H -0.400781 2.101251 0.567172
H 5.828051 1.263858 1.373595
H -6.302151 -1.046532 0.781589
H -6.620719 -2.476707 -0.272690
H -6.161242 -0.899656 -1.021938


%chk=000244089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244089

0 1
O -4.024126 -1.320438 1.636395
O -1.292256 0.071000 -3.098061
O 0.399304 -2.550743 -0.279767
O 1.153946 1.578314 -1.150519
N 4.263613 -1.217109 1.321627
C -1.344726 -1.019299 -0.908203
C 1.139916 -0.780703 -1.763814
C 0.063385 -1.538366 -0.962165
C -1.972627 -0.201339 -1.897652
C -2.093632 -1.372578 0.243094
C 1.657360 0.432277 -0.965452
C -3.409029 -0.907707 0.444228
C 2.762259 0.236770 0.032523
C -3.291935 0.260249 -1.696503
C -4.011867 -0.072501 -0.530440
C 3.341722 1.385227 0.638969
C 3.253806 -1.041910 0.417222
C 4.382524 1.219174 1.570598
C 4.814808 -0.095709 1.873945
C -5.390981 -0.858214 1.885184
H 0.705258 -0.389778 -2.694284
H 1.955672 -1.489773 -1.975307
H -1.625944 -2.015013 0.994900
H -3.771148 0.883643 -2.462408
H -5.027812 0.311689 -0.402226
H 2.959422 2.373141 0.361934
H 2.811141 -1.961922 0.020920
H 4.856244 2.079353 2.053706
H -1.770461 0.755174 -3.627520
H 5.630340 -0.269045 2.585713
H -5.438407 0.246837 1.948899
H -5.668624 -1.295962 2.854912
H -6.088144 -1.216837 1.102355


