%chk=000220608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220608

0 1
O -4.794688 3.039614 0.383918
O -5.553357 -1.842430 -0.199627
O 6.989242 -0.522861 0.232578
O 5.206540 -1.915778 0.252834
C -4.532340 1.617575 0.608831
C -4.904975 -0.562107 -0.483925
C -5.578927 0.659939 0.093002
C -3.691288 2.420261 -0.356999
C -4.254589 -1.576710 0.428499
C -2.303408 2.871891 0.025501
C -3.106504 -2.428136 -0.053669
C -1.254821 1.875040 -0.482161
C -1.763669 -1.851588 0.411814
C 0.153577 2.261932 -0.012323
C -0.593360 -2.704346 -0.095386
C 1.205484 1.298999 -0.573511
C 0.750280 -2.205488 0.452376
C 2.589375 1.532622 0.046165
C 3.562364 0.427060 -0.379915
C 1.924937 -3.003942 -0.102941
C 4.898367 0.519667 0.365161
C 5.636734 -0.786348 0.276229
C 7.883247 -1.666442 0.186869
H -4.153969 1.406404 1.613585
H -4.572046 -0.471663 -1.522107
H -6.284506 0.373970 0.903733
H -6.222689 1.151262 -0.668855
H -3.889109 2.351620 -1.431381
H -4.328267 -1.450238 1.513455
H -2.223111 3.001819 1.124074
H -2.116112 3.882488 -0.394291
H -3.126819 -2.528892 -1.157756
H -3.236995 -3.463607 0.327195
H -1.284070 1.828111 -1.588412
H -1.502239 0.844624 -0.131626
H -1.655043 -0.799511 0.058717
H -1.738576 -1.799764 1.517985
H 0.387923 3.298777 -0.322307
H 0.191343 2.264299 1.094666
H -0.573571 -2.700060 -1.202245
H -0.741219 -3.763137 0.194661
H 0.888168 0.243260 -0.378833
H 1.260749 1.394648 -1.674327
H 0.877343 -1.124641 0.200365
H 0.752149 -2.257950 1.558322
H 2.979354 2.524452 -0.251129
H 2.506155 1.559014 1.150630
H 3.736201 0.470912 -1.472766
H 3.106122 -0.572355 -0.190567
H 2.890650 -2.601981 0.245210
H 1.949370 -2.991707 -1.197815
H 1.887206 -4.053213 0.210441
H 4.738107 0.756205 1.440614
H 5.519803 1.352402 -0.027963
H 8.845557 -1.211300 -0.069263
H 7.550011 -2.377688 -0.576410
H 7.903304 -2.138185 1.173683


%chk=000220608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220608

0 1
O -4.852543 3.083266 0.775949
O -5.600977 -1.756311 -0.790936
O 7.141711 -0.333197 0.032425
O 5.318928 -1.758030 0.285981
C -4.428821 1.636681 0.619572
C -4.761565 -0.505391 -0.639529
C -5.447865 0.689165 0.006643
C -3.732123 2.701935 -0.174045
C -4.389072 -1.742316 0.124806
C -2.332535 3.162035 0.188177
C -3.225246 -2.624331 -0.286074
C -1.256353 2.251888 -0.453844
C -1.901331 -2.231753 0.416191
C 0.182014 2.573551 0.010207
C -0.710560 -3.118779 -0.014665
C 1.209802 1.546264 -0.514720
C 0.630453 -2.702663 0.632655
C 2.634063 1.731993 0.055829
C 3.562144 0.551244 -0.304798
C 1.826984 -3.553116 0.153331
C 4.981333 0.697037 0.287480
C 5.777928 -0.594765 0.201213
C 8.023672 -1.526341 -0.013316
H -3.897253 1.256528 1.505636
H -4.167209 -0.283990 -1.539476
H -6.150377 0.330239 0.781724
H -6.045664 1.235382 -0.746844
H -4.024528 2.810745 -1.230205
H -4.669975 -1.773862 1.189424
H -2.231048 3.142640 1.290785
H -2.185024 4.213077 -0.128405
H -3.101800 -2.561069 -1.384854
H -3.468852 -3.680797 -0.056115
H -1.315123 2.321118 -1.559620
H -1.482843 1.195896 -0.195719
H -1.665789 -1.170886 0.187323
H -2.028096 -2.293346 1.517128
H 0.465436 3.595949 -0.314033
H 0.210538 2.578327 1.119879
H -0.607293 -3.078162 -1.119250
H -0.928515 -4.177624 0.237028
H 0.854956 0.527431 -0.251715
H 1.244416 1.583928 -1.623165
H 0.823448 -1.634178 0.401799
H 0.542479 -2.768797 1.736544
H 3.065397 2.686313 -0.310604
H 2.573154 1.819466 1.161214
H 3.630080 0.449561 -1.406232
H 3.120781 -0.392532 0.068669
H 2.781755 -3.196195 0.580372
H 1.922313 -3.512181 -0.948470
H 1.697759 -4.614435 0.438244
H 4.903336 0.958461 1.363468
H 5.553309 1.508740 -0.193884
H 9.036641 -1.121164 -0.144393
H 7.741599 -2.176949 -0.858023
H 7.941347 -2.098901 0.925842


