%chk=000224153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224153

0 1
O -0.111938 1.996316 1.124994
O 4.754861 0.514802 0.695235
C -0.656996 0.225863 -0.415788
C 0.131568 -0.995000 0.155023
C 1.582175 -0.967326 -0.342303
C 2.319080 0.302282 0.174795
C -2.130367 0.179210 0.148536
C 0.113100 1.573201 -0.236249
C 1.647390 1.500995 -0.500741
C -2.766918 -1.173273 -0.327130
C 3.804055 -0.020420 -0.246347
C -0.529861 -2.322835 -0.259778
C 2.512114 -2.129782 0.055149
C -1.986483 -2.387280 0.200370
C 3.938131 -1.558045 -0.078397
C -2.994648 1.314860 -0.462267
C 2.276350 0.458035 1.699756
C -4.249562 -1.289115 0.077085
C -2.140061 0.294192 1.678760
C -0.419821 2.697819 -1.150266
C -4.481523 1.213684 -0.099100
C -5.073325 -0.138753 -0.511949
C 4.204554 0.466212 -1.638025
H -0.733285 0.081523 -1.522685
H 0.116324 -0.920263 1.272978
H 1.557695 -0.930696 -1.461189
H 2.118678 2.440478 -0.162175
H 1.809725 1.460280 -1.595052
H -2.718432 -1.188258 -1.444324
H 0.032742 -3.171235 0.173771
H -0.473070 -2.452222 -1.357071
H 2.366212 -3.008697 -0.591198
H 2.315826 -2.463198 1.088525
H -2.453183 -3.324336 -0.156164
H -2.038098 -2.426538 1.305102
H 4.546000 -1.769666 0.822320
H 4.479250 -2.010461 -0.922718
H -2.888059 1.310276 -1.562456
H -2.609384 2.295755 -0.108232
H 1.239163 0.532264 2.062557
H 2.750637 -0.391631 2.204423
H 2.808009 1.354956 2.028490
H -4.341402 -1.290745 1.180596
H -4.657467 -2.257771 -0.265179
H -3.127880 0.078201 2.095174
H -1.419141 -0.389954 2.141308
H -1.853677 1.307576 1.996523
H -0.630961 2.344255 -2.162248
H -1.354934 3.110249 -0.735793
H 0.276895 3.536049 -1.232580
H -5.038634 2.035018 -0.587006
H -4.611478 1.362588 0.990592
H -6.123824 -0.213051 -0.175530
H -5.099251 -0.218657 -1.615293
H 5.255241 0.216178 -1.838470
H 3.599551 -0.001695 -2.421413
H 4.112516 1.551201 -1.740904
H 0.457504 2.751551 1.357289
H 4.719420 1.485931 0.718170


%chk=000224153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224153

0 1
O -0.156993 2.218259 1.090987
O 4.860932 0.719085 0.582555
C -0.665954 0.246257 -0.340486
C 0.148051 -1.002992 0.171443
C 1.620333 -0.956223 -0.267645
C 2.350745 0.327578 0.216067
C -2.156605 0.170808 0.240580
C 0.105033 1.632029 -0.256314
C 1.656661 1.508854 -0.481773
C -2.792646 -1.144323 -0.365086
C 3.839262 0.011741 -0.230700
C -0.517232 -2.304387 -0.346720
C 2.554901 -2.113751 0.177560
C -2.006833 -2.413664 0.028309
C 3.994029 -1.507562 0.105730
C -3.034146 1.373097 -0.239360
C 2.318342 0.489219 1.759651
C -4.298594 -1.299482 -0.038851
C -2.176273 0.140071 1.797358
C -0.367196 2.658236 -1.328111
C -4.546635 1.224366 0.058440
C -5.119636 -0.085709 -0.524493
C 4.144194 0.298926 -1.718155
H -0.777813 0.087976 -1.439151
H 0.128512 -1.019634 1.277496
H 1.622766 -0.934647 -1.382376
H 2.104508 2.483067 -0.180008
H 1.813487 1.421322 -1.574734
H -2.716975 -1.038165 -1.473256
H 0.034219 -3.182165 0.042434
H -0.415968 -2.330531 -1.453939
H 2.449567 -3.005522 -0.464677
H 2.309447 -2.428252 1.209886
H -2.457666 -3.293221 -0.474990
H -2.110780 -2.594638 1.116904
H 4.526525 -1.592812 1.068500
H 4.616880 -2.010899 -0.655121
H -2.912605 1.489784 -1.336967
H -2.664403 2.297533 0.240121
H 1.287421 0.611052 2.125849
H 2.787375 -0.369771 2.269649
H 2.892002 1.384185 2.060648
H -4.436950 -1.433465 1.053428
H -4.672540 -2.228677 -0.515143
H -3.212149 0.131884 2.178392
H -1.676321 -0.750755 2.214109
H -1.664597 1.032092 2.189590
H -0.388847 2.203048 -2.335361
H -1.364603 3.058827 -1.106290
H 0.339933 3.511235 -1.363979
H -5.083945 2.097342 -0.362858
H -4.724561 1.249273 1.151446
H -6.185980 -0.200435 -0.247289
H -5.078657 -0.040376 -1.633221
H 5.175661 -0.028360 -1.938771
H 3.461582 -0.243686 -2.396754
H 4.072127 1.377960 -1.957143
H 0.438895 3.003345 1.200972
H 4.861815 1.676549 0.323118


