%chk=000191461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191461

0 1
O -2.484125 -1.634330 -1.894139
O 1.530807 -3.796792 -0.176894
O 8.966412 2.148146 -0.248315
O 7.364263 3.429481 0.638971
C -1.514453 -1.901558 0.264444
C -0.069644 -1.959812 -0.292161
C -2.007781 -3.367653 0.312159
C -0.756969 -4.241297 0.447040
C 0.849017 -0.898219 0.320934
C 0.406043 -3.387841 -0.023503
C -2.417644 -0.995028 -0.597534
C 2.205295 -0.833752 -0.394076
C 3.128004 0.209290 0.247561
C -3.802441 -0.866133 -0.023626
C 4.492316 0.248432 -0.454727
C -4.202700 0.187622 0.692246
C 5.411746 1.297884 0.180077
C -5.571553 0.302806 1.291673
C -6.099662 1.744803 1.291060
C 6.780523 1.324779 -0.509128
C -6.378274 2.256313 -0.128267
C -6.899444 3.699995 -0.114345
C 7.642474 2.419081 0.039283
C -7.179898 4.211817 -1.525319
H -1.504833 -1.485209 1.299561
H -0.104801 -1.833026 -1.407936
H -2.716672 -3.526075 1.138844
H -2.550086 -3.610095 -0.624996
H 0.351854 0.090303 0.269679
H 1.002771 -1.106232 1.398224
H -0.585567 -4.569514 1.488984
H -0.826751 -5.170946 -0.146591
H -1.934897 -0.001539 -0.755067
H 2.058907 -0.605225 -1.466677
H 2.684109 -1.838548 -0.367031
H 2.654752 1.209326 0.209602
H 3.265882 -0.020606 1.322255
H -4.453797 -1.714136 -0.235894
H 4.965415 -0.752528 -0.406766
H 4.354099 0.464403 -1.531975
H -3.148502 -1.191819 -2.456029
H -3.539039 1.031084 0.896028
H 5.539707 1.090495 1.261612
H 4.945081 2.303637 0.125259
H -6.293528 -0.359023 0.769956
H -5.532795 -0.075180 2.337066
H -5.378710 2.413588 1.800075
H -7.027695 1.791583 1.894556
H 7.296624 0.343890 -0.407062
H 6.666750 1.473853 -1.606611
H -5.456889 2.194075 -0.739015
H -7.111934 1.596552 -0.630126
H -7.822304 3.762092 0.495167
H -6.163898 4.362059 0.383210
H -7.551645 5.242611 -1.505914
H -6.277043 4.201271 -2.146459
H -7.934540 3.601468 -2.034426
H 9.584262 2.851180 0.082884


%chk=000191461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191461

0 1
O -2.255259 -0.725483 -1.608346
O 1.433197 -4.000059 -0.218554
O 9.055837 2.385054 -0.746758
O 7.766789 2.913403 1.109342
C -1.514250 -1.931773 0.355381
C -0.062505 -2.004215 -0.204609
C -2.156589 -3.284802 -0.074359
C -1.009359 -4.311555 0.066839
C 0.976749 -1.081804 0.474589
C 0.281546 -3.502702 -0.142561
C -2.279740 -0.678382 -0.119926
C 2.265648 -0.878073 -0.354400
C 3.287961 0.043753 0.345594
C -3.704384 -0.601835 0.379569
C 4.572768 0.259680 -0.484778
C -4.187243 0.419754 1.134933
C 5.596653 1.177256 0.218283
C -5.599708 0.533042 1.667235
C -6.270139 1.898230 1.349041
C 6.873801 1.371701 -0.620410
C -6.487305 2.149493 -0.159654
C -7.181851 3.499047 -0.453402
C 7.887190 2.290599 0.031909
C -7.386306 3.754604 -1.962370
H -1.469361 -1.883383 1.463951
H -0.125919 -1.739321 -1.284250
H -3.036432 -3.548639 0.536981
H -2.480071 -3.205942 -1.127876
H 0.507934 -0.092304 0.659990
H 1.241595 -1.497185 1.468624
H -0.969438 -4.739906 1.089214
H -1.058145 -5.164506 -0.632372
H -1.729779 0.226541 0.222293
H 1.995618 -0.446618 -1.341528
H 2.722558 -1.865878 -0.550849
H 2.818570 1.027897 0.558106
H 3.558950 -0.391175 1.330292
H -4.366105 -1.429577 0.084493
H 5.037698 -0.726102 -0.694876
H 4.301251 0.692157 -1.470910
H -2.855438 -0.014876 -1.948187
H -3.505045 1.243429 1.408336
H 5.865711 0.752551 1.204593
H 5.139737 2.163990 0.425617
H -6.219057 -0.292558 1.264454
H -5.577953 0.405871 2.770527
H -5.650744 2.716570 1.772270
H -7.247221 1.945284 1.871255
H 7.372539 0.403246 -0.820914
H 6.633047 1.791235 -1.617743
H -5.510836 2.117254 -0.684779
H -7.095243 1.323569 -0.585374
H -8.162443 3.524585 0.064336
H -6.579000 4.321287 -0.016066
H -7.880972 4.725961 -2.146395
H -6.417614 3.762131 -2.497254
H -8.013275 2.964472 -2.417127
H 9.697980 2.996811 -0.293618


