%chk=000240229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240229

0 1
O -2.794261 -0.411178 1.182771
O -2.800339 -0.429134 -1.159508
C -4.042819 1.352057 0.001290
C -2.698413 -1.245109 0.017684
C -3.946053 0.449959 1.256463
C -3.952489 0.430883 -1.240433
C -1.262131 -1.791318 0.018070
C -0.221524 -0.664847 0.007877
C -5.391418 2.082723 -0.000817
C -2.884141 2.354284 -0.009356
C 1.207706 -1.218520 0.008574
C -3.767056 -2.336088 0.028971
C 2.242790 -0.085292 -0.001751
C 3.676136 -0.633599 -0.000990
C 4.710563 0.500101 -0.011018
C 6.143839 -0.047930 -0.010221
C 7.179548 1.085276 -0.020556
C 8.608220 0.545553 -0.019604
H -4.847244 -0.168382 1.399025
H -3.741761 1.025697 2.176559
H -3.752927 0.992454 -2.170268
H -4.854407 -0.189509 -1.368871
H -1.128743 -2.441661 -0.868348
H -1.124554 -2.429487 0.912648
H -0.386610 -0.010440 0.888385
H -0.390548 -0.022841 -0.880968
H -6.240275 1.391586 0.006690
H -5.491306 2.735211 0.874491
H -5.495875 2.721710 -0.885500
H -2.901169 2.991772 -0.897951
H -1.924739 1.812292 -0.007689
H -2.896606 3.005270 0.869476
H 1.359330 -1.873862 -0.870567
H 1.363295 -1.861397 0.896182
H -4.780771 -1.924169 0.024858
H -3.675908 -2.980967 -0.852547
H -3.675467 -2.962772 0.923486
H 2.089643 0.570704 0.876877
H 2.085786 0.558131 -0.888956
H 3.828285 -1.289466 -0.879695
H 3.832031 -1.277264 0.886041
H 4.557686 1.155935 0.867640
H 4.553976 1.143699 -0.898029
H 6.297627 -0.704200 -0.888181
H 6.301446 -0.691610 0.876341
H 7.027552 1.741566 0.858580
H 7.023902 1.728774 -0.908467
H 8.807467 -0.066494 0.867341
H 8.803936 -0.078941 -0.898622
H 9.339692 1.361140 -0.026810


%chk=000240229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240229

0 1
O -2.860664 -0.394356 1.218790
O -2.857101 -0.340199 -1.210061
C -4.218952 1.356674 0.040314
C -2.715810 -1.197936 -0.014277
C -4.094870 0.409839 1.264764
C -4.092006 0.464222 -1.224120
C -1.263367 -1.704194 -0.019373
C -0.195506 -0.591110 -0.031455
C -5.611003 2.029031 0.054303
C -3.094872 2.418832 0.064652
C 1.240578 -1.158193 0.020922
C -3.731797 -2.359592 -0.042101
C 2.326992 -0.062500 -0.059722
C 3.766215 -0.616595 0.039063
C 4.853910 0.474594 -0.080276
C 6.292566 -0.076826 0.040915
C 7.380887 1.012796 -0.092297
C 8.814461 0.452916 0.034057
H -4.989415 -0.248386 1.325937
H -4.017126 0.983031 2.204784
H -4.012489 1.077855 -2.138112
H -4.985903 -0.191439 -1.316190
H -1.138618 -2.354214 -0.907200
H -1.133581 -2.340427 0.877744
H -0.365519 0.077762 0.833670
H -0.326469 0.020534 -0.944243
H -6.427735 1.281464 0.037650
H -5.737876 2.650219 0.960884
H -5.737486 2.690156 -0.823574
H -3.167245 3.087607 -0.813812
H -2.104614 1.933552 0.050379
H -3.163851 3.042583 0.975908
H 1.386991 -1.877388 -0.813070
H 1.375151 -1.738459 0.958410
H -4.779098 -2.013633 -0.021974
H -3.585692 -2.953491 -0.960583
H -3.570671 -3.010620 0.834169
H 2.162662 0.676635 0.752293
H 2.212368 0.494225 -1.013349
H 3.921545 -1.376272 -0.755911
H 3.887138 -1.150348 1.005187
H 4.689511 1.243221 0.704116
H 4.742419 0.996877 -1.053768
H 6.455422 -0.852341 -0.737014
H 6.407920 -0.590265 1.018681
H 7.216026 1.788494 0.683537
H 7.266254 1.523424 -1.070385
H 8.961516 -0.039949 1.013891
H 9.016577 -0.299402 -0.751871
H 9.573129 1.251890 -0.059685


