%chk=000221703.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221703

0 1
O 3.324946 0.361345 -1.214197
O 4.102575 -1.257085 0.217980
C 2.972396 -0.887725 -0.598031
C 4.336772 1.028733 -0.419533
C 4.992520 -0.121220 0.394662
C 1.738772 -0.763681 0.296185
C 0.464741 -0.613663 -0.539329
C -0.775155 -0.461108 0.351080
C -2.050403 -0.308604 -0.489019
C -3.292156 -0.154982 0.399550
C -4.567317 -0.001552 -0.440556
C 3.689576 2.093473 0.450152
C 6.357954 -0.533554 -0.125998
C -5.809128 0.151816 0.447676
C -7.085466 0.305331 -0.391592
C -8.324880 0.458433 0.487386
H 2.894733 -1.625700 -1.416995
H 5.007997 1.470676 -1.185787
H 5.002815 0.064664 1.488524
H 1.681749 -1.654037 0.953600
H 1.859608 0.103729 0.976672
H 0.565845 0.267194 -1.206746
H 0.342901 -1.487969 -1.207865
H -0.868197 -1.337342 1.021433
H -0.656061 0.415953 1.016025
H -1.956613 0.567456 -1.159669
H -2.170270 -1.185202 -1.154581
H -3.386515 -1.031320 1.069465
H -3.172839 0.721513 1.065178
H -4.473193 0.874774 -1.110513
H -4.686800 -0.877948 -1.106369
H 4.428270 2.656512 1.028745
H 2.961443 1.657437 1.149318
H 3.130538 2.808038 -0.170160
H 7.116376 0.233356 0.057449
H 6.688794 -1.462667 0.359912
H 6.332410 -0.745151 -1.203564
H -5.904706 -0.723854 1.117990
H -5.691324 1.027822 1.113953
H -7.205698 -0.571732 -1.057248
H -6.991975 1.182399 -1.061501
H -9.230163 0.567262 -0.120142
H -8.255047 1.340995 1.133278
H -8.468622 -0.412116 1.137384


%chk=000221703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221703

0 1
O 3.268633 0.722910 -0.730875
O 4.108068 -0.839398 0.827374
C 2.990475 -0.588745 -0.088090
C 4.648911 1.147941 -0.350430
C 5.284257 -0.146992 0.233221
C 1.679905 -0.564234 0.690776
C 0.451239 -0.372267 -0.225226
C -0.877024 -0.328896 0.562069
C -2.117400 -0.185125 -0.348086
C -3.449180 -0.135178 0.434167
C -4.691440 -0.023821 -0.478471
C 4.585298 2.314168 0.643396
C 5.995283 -1.019306 -0.812029
C -6.024357 0.024271 0.302169
C -7.267016 0.120388 -0.612432
C -8.594263 0.167129 0.175445
H 2.975836 -1.353467 -0.896573
H 5.150284 1.453357 -1.287899
H 5.948864 0.071998 1.086533
H 1.596419 -1.520274 1.245039
H 1.740265 0.249162 1.438169
H 0.575546 0.563923 -0.803601
H 0.409306 -1.198546 -0.965967
H -0.975658 -1.252725 1.170467
H -0.849107 0.515675 1.281728
H -2.017436 0.734501 -0.961773
H -2.145378 -1.033861 -1.063390
H -3.538448 -1.046094 1.062922
H -3.430809 0.725132 1.135639
H -4.603256 0.886040 -1.108775
H -4.708598 -0.885427 -1.178622
H 5.594300 2.731175 0.824953
H 4.162782 1.977566 1.606812
H 3.944786 3.119061 0.243832
H 6.918519 -0.522881 -1.165289
H 6.271307 -1.993716 -0.373871
H 5.347448 -1.198833 -1.688845
H -6.109450 -0.881279 0.939222
H -6.013491 0.891161 0.995810
H -7.276315 -0.746115 -1.304947
H -7.181515 1.025060 -1.248766
H -9.466153 0.240747 -0.500564
H -8.619435 1.039057 0.856311
H -8.720800 -0.742543 0.792668


