%chk=000191951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191951

0 1
O -0.275943 5.307857 -0.520509
O 1.039250 2.956347 -0.003009
O -3.489123 -1.802627 1.016548
O 4.791030 -1.019198 0.662227
N -2.757856 2.644131 -0.088053
N -3.806009 -0.158005 -0.590184
N -2.717456 -2.222029 -1.119202
C -0.882539 4.048175 -0.812982
C -1.721336 3.597741 0.404641
C -3.225949 1.721569 0.991836
C 0.190475 3.011359 -1.187983
C -4.313820 0.778194 0.442403
C -3.300947 -1.405043 -0.126795
C -2.072841 -3.489827 -0.695347
C 1.973747 1.940304 0.073139
C -0.600466 -3.299635 -0.416217
C 2.275421 1.038850 -0.958191
C 2.626238 1.896571 1.320666
C 0.363269 -3.778019 -1.312966
C -0.199609 -2.633877 0.752148
C 3.239613 0.057409 -0.733112
C 3.590948 0.917999 1.544689
C 3.876670 0.006037 0.516396
C 1.722678 -3.589387 -1.041952
C 1.158313 -2.443664 1.015029
C 2.121681 -2.920404 0.118409
H -1.523039 4.280702 -1.696868
H -2.140465 4.495683 0.907407
H -1.054756 3.104060 1.148309
H -2.353439 1.122519 1.342583
H -3.618476 2.253002 1.885799
H -3.557426 3.175006 -0.455568
H 0.812137 3.344621 -2.035659
H -0.257207 2.020155 -1.377689
H -5.150053 1.351509 -0.017165
H -4.749768 0.187790 1.287607
H -3.323933 0.310640 -1.358501
H 0.463720 5.194170 0.121105
H -2.248222 -4.243550 -1.496065
H -2.593052 -3.874844 0.220235
H -2.364340 -1.819359 -1.980298
H 1.775540 1.088924 -1.921342
H 2.367812 2.622284 2.089146
H 0.060559 -4.299712 -2.218211
H -0.956100 -2.267929 1.450735
H 3.498870 -0.669784 -1.501534
H 4.106320 0.863520 2.499619
H 2.471015 -3.965288 -1.737217
H 1.468847 -1.921027 1.918233
H 3.182643 -2.760181 0.323073
H 5.252673 -0.976841 1.533039


%chk=000191951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191951

0 1
O -0.417626 5.805406 -0.382982
O 0.794605 3.378883 0.240893
O -3.742666 -1.911379 0.844346
O 4.415714 -0.860921 1.083069
N -2.875510 2.935845 -0.143353
N -3.138480 0.058926 -0.273239
N -1.982724 -1.944170 -0.700380
C -1.047712 4.533310 -0.760260
C -2.075909 4.099531 0.313381
C -3.556462 2.174000 0.938711
C 0.013258 3.454145 -1.008557
C -4.165640 0.877562 0.373520
C -3.001364 -1.300100 0.008597
C -1.742301 -3.383862 -0.538137
C 1.710720 2.318853 0.387186
C -0.264940 -3.755093 -0.616705
C 2.009636 1.379500 -0.630638
C 2.340606 2.219506 1.649893
C 0.124219 -4.951519 -1.270393
C 0.736961 -2.944536 -0.023386
C 2.922233 0.334288 -0.374419
C 3.252479 1.176072 1.903952
C 3.535573 0.226760 0.891442
C 1.482663 -5.338499 -1.321151
C 2.098067 -3.322910 -0.078926
C 2.473595 -4.523931 -0.726365
H -1.566610 4.745913 -1.713771
H -2.690791 4.989901 0.572469
H -1.526080 3.799099 1.224505
H -2.795427 1.915946 1.697999
H -4.356739 2.761175 1.448540
H -3.554120 3.215320 -0.868823
H 0.679994 3.737606 -1.846019
H -0.484224 2.486240 -1.211866
H -4.976839 1.129682 -0.344430
H -4.615506 0.272283 1.179351
H -2.434655 0.577715 -0.804796
H 0.261152 5.597800 0.311753
H -2.308187 -3.969153 -1.293393
H -2.172919 -3.651068 0.445727
H -1.497173 -1.461466 -1.457571
H 1.550136 1.451237 -1.620401
H 2.100966 2.956236 2.422459
H -0.640352 -5.582838 -1.741052
H 0.445243 -2.015609 0.480544
H 3.158661 -0.405088 -1.144862
H 3.730326 1.101352 2.889129
H 1.766825 -6.267434 -1.828858
H 2.863616 -2.686530 0.379882
H 3.528552 -4.817668 -0.769777
H 4.810453 -0.839419 1.989563


