%chk=000245418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245418

0 1
O 1.029278 0.039240 -0.831078
O 0.351299 1.100686 1.128784
O 0.426638 -1.084622 1.118626
C 0.110186 0.002464 0.253183
C -1.288613 -0.043153 -0.327028
C 2.441472 0.087142 -0.462620
C 0.072381 2.413090 0.552772
C 0.241409 -2.407650 0.529247
C 3.159952 0.111710 -1.809850
C 0.742912 3.371040 1.536366
C 0.976002 -3.325835 1.504960
C -1.502868 -0.042308 -1.709779
C -2.375182 -0.086567 0.558220
C -2.808597 -0.084943 -2.208587
C -3.677294 -0.129068 0.055038
C 4.671421 0.163710 -1.620840
C 0.504812 4.821918 1.136604
C 0.841032 -4.785823 1.090505
C -3.893853 -0.128228 -1.327862
H 2.668686 -0.807439 0.141350
H 2.607057 0.995106 0.141367
H -1.022909 2.535783 0.510352
H 0.502360 2.462955 -0.462035
H 0.675403 -2.417177 -0.485040
H -0.842503 -2.606428 0.483180
H 2.870199 -0.780128 -2.401062
H 2.809620 0.981427 -2.401232
H 0.358118 3.175950 2.558854
H 1.827947 3.150144 1.589179
H 2.042761 -3.029826 1.562383
H 0.576855 -3.168391 2.528433
H -0.647029 -0.008369 -2.388818
H -2.190608 -0.086684 1.635050
H -2.978310 -0.084358 -3.283615
H -4.523136 -0.162840 0.739232
H 4.981560 1.059091 -1.069062
H 5.042302 -0.707994 -1.068630
H 5.188065 0.181233 -2.587773
H 0.908410 5.041994 0.141332
H -0.563083 5.070364 1.123018
H 0.988604 5.507134 1.843241
H 1.260616 -4.967134 0.094027
H 1.370694 -5.442335 1.791478
H -0.206746 -5.108515 1.072118
H -4.910019 -0.161367 -1.718088


%chk=000245418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245418

0 1
O 1.080383 0.093240 -0.919122
O 0.411613 1.153071 1.139032
O 0.504527 -1.082997 1.101726
C 0.186301 0.039171 0.229629
C -1.249406 -0.014636 -0.295165
C 2.518529 0.205790 -0.570168
C 0.115105 2.485255 0.563156
C 0.352005 -2.414406 0.469522
C 3.319377 -0.110069 -1.836915
C 0.575974 3.522226 1.591734
C 0.887256 -3.442247 1.471018
C -1.562543 0.029792 -1.672599
C -2.292605 -0.108955 0.660320
C -2.912047 -0.019844 -2.092601
C -3.638280 -0.158226 0.239873
C 4.839753 0.015520 -1.592712
C 0.292238 4.964162 1.116470
C 0.757133 -4.884754 0.934088
C -3.952224 -0.113809 -1.140143
H 2.750465 -0.499116 0.250874
H 2.728259 1.232409 -0.209993
H -0.973183 2.575549 0.368321
H 0.651557 2.607685 -0.400332
H 0.919733 -2.443604 -0.482546
H -0.717559 -2.602045 0.243048
H 3.069559 -1.133263 -2.176431
H 3.005870 0.580208 -2.643239
H 0.058322 3.326496 2.549491
H 1.657583 3.385575 1.780634
H 1.945646 -3.209987 1.694811
H 0.330111 -3.336371 2.420718
H -0.748473 0.102053 -2.399101
H -2.033248 -0.143053 1.724156
H -3.149823 0.014439 -3.161895
H -4.440051 -0.230930 0.983318
H 5.111103 1.039587 -1.273988
H 5.178878 -0.682347 -0.804279
H 5.407824 -0.212633 -2.512098
H 0.815261 5.186447 0.167043
H -0.789397 5.126591 0.950767
H 0.631677 5.699572 1.867494
H 1.324410 -5.017571 -0.006541
H 1.145896 -5.613797 1.667219
H -0.298929 -5.142956 0.729507
H -4.997279 -0.152221 -1.468203


