%chk=000245470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245470

0 1
O 5.109884 -0.645208 -0.743708
O -5.979934 -0.339315 0.083148
C 0.466750 0.760355 -0.018999
C -0.265267 -0.564973 0.338955
C 1.920336 0.647927 0.468392
C 2.666642 -0.525478 -0.241585
C -1.750561 -0.524033 -0.150864
C -2.433904 0.723847 0.495278
C 0.489396 -1.799336 -0.203338
C -0.237103 1.962136 0.631647
C 4.139613 -0.282932 0.259584
C 1.977871 -1.831323 0.188068
C -1.722314 2.074719 0.232316
C 2.856502 1.854865 0.278014
C 4.277434 1.260905 0.368193
C -2.493433 -1.782813 0.391320
C -3.925826 0.789940 0.134709
C 2.657665 -0.409450 -1.773991
C -1.827168 -0.519885 -1.683594
C -3.997036 -1.760011 0.099496
C -4.645500 -0.471057 0.626470
C 4.509420 -1.011589 1.549631
C -1.878672 2.627871 -1.186413
H 0.456118 0.894159 -1.127803
H -0.280990 -0.647943 1.453840
H 1.888960 0.423774 1.565616
H -2.370516 0.569066 1.606853
H 0.401250 -1.834961 -1.307479
H 0.001035 -2.720638 0.167195
H -0.158940 1.893068 1.733190
H 0.291268 2.893895 0.354688
H 2.068554 -1.978876 1.280163
H 2.467475 -2.703340 -0.280193
H -2.195241 2.822761 0.923320
H 2.690034 2.627566 1.043765
H 2.690927 2.339782 -0.698821
H 4.922704 1.624260 -0.454183
H 4.780358 1.554982 1.301480
H -2.328158 -1.870733 1.481521
H -2.052301 -2.694422 -0.054431
H -4.402663 1.685727 0.574181
H -4.069372 0.890602 -0.960021
H 3.303352 0.409906 -2.116377
H 3.030100 -1.322601 -2.247012
H 1.649164 -0.218530 -2.158142
H -1.296498 0.347150 -2.105936
H -1.383555 -1.423104 -2.113639
H -2.865245 -0.462457 -2.031634
H -4.174988 -1.833852 -0.992780
H -4.481596 -2.647202 0.544317
H -4.735089 -0.487730 1.734352
H 5.553923 -0.803489 1.817588
H 3.882645 -0.694072 2.389286
H 4.417554 -2.097450 1.452223
H -1.389751 3.602238 -1.287612
H -1.432508 1.955565 -1.934584
H -2.932551 2.758824 -1.453830
H 5.065306 -1.594530 -0.949279
H -6.523261 -1.114358 0.302750


%chk=000245470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245470

0 1
O 5.255715 -0.829865 -0.560867
O -6.100594 -0.348018 0.369019
C 0.479159 0.762858 -0.080687
C -0.260775 -0.585977 0.210931
C 1.947280 0.646038 0.382884
C 2.725897 -0.533266 -0.281204
C -1.773724 -0.544412 -0.233190
C -2.443695 0.704530 0.459946
C 0.515346 -1.815918 -0.345217
C -0.235644 1.938604 0.628335
C 4.175771 -0.302044 0.312279
C 2.004832 -1.850156 0.095773
C -1.731273 2.074010 0.241944
C 2.890787 1.863097 0.198809
C 4.328935 1.255664 0.296315
C -2.519280 -1.801761 0.327023
C -3.969503 0.778600 0.207091
C 2.805027 -0.394494 -1.827456
C -1.898525 -0.548223 -1.785568
C -4.049797 -1.754512 0.095575
C -4.670812 -0.487087 0.714730
C 4.384276 -0.888335 1.725307
C -1.915863 2.730669 -1.149200
H 0.472252 0.959317 -1.172597
H -0.268517 -0.689669 1.323464
H 1.905235 0.424961 1.474566
H -2.321799 0.503108 1.551738
H 0.459878 -1.828309 -1.449802
H 0.026920 -2.746780 0.001106
H -0.157196 1.780363 1.726178
H 0.291436 2.887574 0.405984
H 2.042119 -1.996313 1.194288
H 2.503773 -2.728061 -0.366206
H -2.198904 2.771136 0.971947
H 2.720781 2.644803 0.959822
H 2.723593 2.332249 -0.789717
H 4.956356 1.531839 -0.568529
H 4.857640 1.600287 1.202961
H -2.317085 -1.881845 1.417009
H -2.117893 -2.721001 -0.139707
H -4.394032 1.660879 0.724418
H -4.204810 0.898575 -0.867153
H 3.380041 0.496207 -2.131047
H 3.320933 -1.267893 -2.264123
H 1.804875 -0.327388 -2.287705
H -1.129449 0.078763 -2.267231
H -1.780126 -1.574390 -2.180630
H -2.881210 -0.179692 -2.125115
H -4.279140 -1.763433 -0.987516
H -4.520041 -2.660266 0.532552
H -4.559767 -0.542743 1.823343
H 5.396510 -0.622917 2.078505
H 3.652802 -0.492194 2.452442
H 4.299268 -1.992172 1.729400
H -1.496013 3.754239 -1.135773
H -1.406801 2.175895 -1.955049
H -2.983542 2.815024 -1.420980
H 5.237029 -1.820709 -0.517813
H -6.576354 -1.171243 0.649697


