%chk=000212588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212588

0 1
O -4.606208 0.275641 2.127067
O -0.650357 -2.611633 -2.120720
O 0.991129 -1.268930 -0.347135
O 2.493322 0.690190 -1.420397
N -2.570266 -0.784513 0.428011
C -1.754163 -0.886464 -0.820188
C -4.020916 -1.048968 0.151368
C -2.408825 0.557216 1.077617
C -1.077262 -2.275666 -0.799468
C -4.787743 -1.001831 1.482403
C -3.217357 0.567998 2.384290
C 0.119556 -2.324490 0.167815
C 2.191990 -1.056869 0.273605
C 2.933273 0.028622 -0.267430
C 2.716897 -1.785184 1.344835
C 4.177737 0.374155 0.250503
C 3.973393 -1.432623 1.856502
C 4.699488 -0.369200 1.318631
C 1.397663 1.540271 -1.300785
C 0.894183 2.022127 -0.087531
C 0.858383 1.916084 -2.544597
C -0.179251 2.917532 -0.130547
C -0.212295 2.806689 -2.553752
C -0.734983 3.306700 -1.352037
H -2.342238 -0.784547 -1.756981
H -0.973023 -0.092083 -0.869629
H -4.464643 -0.321619 -0.562651
H -4.113765 -2.056975 -0.305368
H -2.733950 1.396084 0.424510
H -1.329158 0.710599 1.296295
H -1.802658 -3.087520 -0.555243
H -5.881310 -1.040068 1.336321
H -4.463135 -1.800829 2.171735
H -2.827133 -0.162940 3.114036
H -3.267349 1.573636 2.836585
H -0.176210 -2.076788 1.201636
H 0.655288 -3.286011 0.114496
H 0.101266 -2.035597 -2.397277
H 2.172414 -2.618990 1.777725
H 4.730840 1.206943 -0.184281
H 4.385798 -2.004191 2.688773
H 5.675198 -0.110811 1.725675
H 1.331479 1.718408 0.859280
H 1.283914 1.517065 -3.462134
H -0.579692 3.318772 0.800432
H -0.647184 3.117104 -3.504113
H -1.568839 4.003903 -1.374087


%chk=000212588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212588

0 1
O -4.677244 -0.018085 2.383406
O -0.682864 -2.401198 -2.366101
O 0.900271 -1.184488 -0.422583
O 2.652552 0.689681 -1.417163
N -2.657044 -0.752400 0.424721
C -2.012574 -0.909933 -0.901111
C -3.916143 -1.530609 0.564153
C -2.896258 0.668942 0.791896
C -1.182814 -2.214812 -0.997743
C -4.443252 -1.420700 2.005017
C -3.428965 0.750858 2.230698
C -0.028230 -2.252247 0.010552
C 2.109961 -1.036729 0.257732
C 2.987870 -0.031050 -0.241806
C 2.508508 -1.806179 1.376537
C 4.244491 0.180182 0.350688
C 3.771575 -1.583297 1.973024
C 4.644419 -0.598143 1.462999
C 1.621412 1.661951 -1.365180
C 1.109264 2.187570 -0.156830
C 1.160391 2.127989 -2.617148
C 0.117634 3.193739 -0.214598
C 0.169454 3.131682 -2.656917
C -0.358724 3.669570 -1.458035
H -2.748904 -0.913953 -1.738475
H -1.330996 -0.054452 -1.063344
H -4.699217 -1.159433 -0.143800
H -3.725388 -2.594182 0.327525
H -3.633896 1.151885 0.103463
H -1.943706 1.224607 0.713999
H -1.828327 -3.092849 -0.815564
H -5.420001 -1.921337 2.110819
H -3.710057 -1.880176 2.703524
H -2.661811 0.359578 2.934089
H -3.688552 1.787455 2.502716
H -0.405318 -2.040607 1.029085
H 0.492930 -3.228042 -0.030839
H 0.065009 -1.759377 -2.493352
H 1.847500 -2.578630 1.780113
H 4.895814 0.950225 -0.074221
H 4.070022 -2.188489 2.835769
H 5.624309 -0.433064 1.921596
H 1.483784 1.827255 0.806701
H 1.584813 1.702637 -3.531600
H -0.273908 3.613251 0.719518
H -0.189656 3.494682 -3.626284
H -1.124836 4.451120 -1.493850


