%chk=000258914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258914

0 1
O 0.243948 -2.672507 -0.066990
O -0.243881 2.672309 -0.068079
O 7.608867 0.904152 0.530638
O -7.608960 -0.903694 0.531113
N 2.491353 -1.273345 0.080110
N -2.491282 1.273241 0.079597
C 1.323572 -0.563997 0.026457
C -1.323510 0.563842 0.026246
C 0.063692 -1.467872 -0.018671
C -0.063626 1.467695 -0.019252
C 1.202833 0.798302 0.002532
C -1.202767 -0.798472 0.002865
C 3.808828 -0.698935 0.158491
C -3.808792 0.698933 0.158236
C 4.790130 -1.141976 -0.741437
C -4.790059 1.141621 -0.741906
C 4.117541 0.257543 1.149911
C -4.117593 -0.257046 1.150117
C 6.384246 0.314401 0.324132
C -6.384293 -0.314136 0.324336
C 6.090549 -0.638211 -0.659847
C -6.090514 0.637986 -0.660093
C 5.403228 0.769354 1.234254
C -5.403319 -0.768722 1.234689
C 8.697226 0.535695 -0.351567
C -8.697284 -0.535576 -0.351275
H 2.075301 1.453023 -0.025799
H -2.075228 -1.453213 -0.025228
H 2.435736 -2.301337 0.022525
H -2.435627 2.301204 0.021541
H 4.544797 -1.876648 -1.509358
H -4.544668 1.875916 -1.510170
H 3.345711 0.590055 1.847996
H -3.345806 -0.589266 1.848390
H 6.846433 -0.985787 -1.357387
H -6.846367 0.985289 -1.357803
H 5.674047 1.511444 1.984518
H -5.674205 -1.510425 1.985312
H 8.459912 0.808568 -1.383770
H 8.926329 -0.528714 -0.249356
H 9.517543 1.153350 0.038810
H -9.517652 -1.152981 0.039390
H -8.459984 -0.808961 -1.383346
H -8.926307 0.528900 -0.249575


%chk=000258914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258914

0 1
O 0.685818 -2.654032 -0.097585
O -0.685819 2.654028 -0.099230
O 7.925080 1.023511 0.368611
O -7.925056 -1.023366 0.369084
N 2.635008 -0.935985 -0.007911
N -2.635013 0.936036 -0.008309
C 1.398383 -0.347677 -0.010913
C -1.398387 0.347730 -0.011091
C 0.305865 -1.422222 -0.047180
C -0.305869 1.422262 -0.047731
C 1.068251 1.007295 -0.031148
C -1.068255 -1.007251 -0.030716
C 3.944307 -0.409202 0.077671
C -3.944306 0.409275 0.077501
C 5.011757 -1.232621 -0.369413
C -5.011774 1.232508 -0.369882
C 4.250791 0.866421 0.632398
C -4.250763 -0.866134 0.632733
C 6.640133 0.479866 0.244635
C -6.640117 -0.479757 0.244869
C 6.349938 -0.800924 -0.290695
C -6.349948 0.800828 -0.290967
C 5.582823 1.301753 0.710280
C -5.582788 -1.301451 0.710812
C 9.053548 0.212148 -0.096950
C -9.053541 -0.212199 -0.096777
H 1.812631 1.802956 -0.082753
H -1.812640 -1.802939 -0.081870
H 2.531846 -1.968623 -0.087869
H -2.531857 1.968647 -0.088613
H 4.788678 -2.219585 -0.792067
H -4.788713 2.219310 -0.792925
H 3.463151 1.500740 1.043147
H -3.463105 -1.500279 1.043716
H 7.145408 -1.460659 -0.648426
H -7.145432 1.460416 -0.648939
H 5.829533 2.276875 1.140503
H -5.829478 -2.276407 1.141423
H 8.971751 -0.006238 -1.179414
H 9.128277 -0.735879 0.470430
H 9.945204 0.827542 0.090763
H -9.945188 -0.827524 0.091202
H -8.971769 0.005754 -1.179330
H -9.128264 0.736056 0.470224


