%chk=000236105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236105

0 1
O 0.455668 0.188152 -1.190982
O -4.661105 2.332332 0.912028
O -5.729417 0.809173 -0.563543
N -0.432500 -0.177869 0.872989
C 2.890138 1.041092 0.847197
C 2.019494 -0.206471 0.587071
C 3.233666 0.089559 -0.301532
C 2.324561 2.397796 0.499883
C 3.734771 1.046335 2.099074
C 0.657882 -0.042601 -0.008324
C 4.412764 -0.801676 -0.253330
C 5.655510 -0.411256 -0.580860
C -1.795610 0.013983 0.426324
C -0.243678 -0.374580 2.330946
C 6.809767 -1.365621 -0.545045
C 5.985861 0.981560 -1.017636
C -2.415072 -0.889506 -0.456011
C -2.474166 1.156012 0.946205
C -1.699810 -2.082495 -1.025069
C -3.767363 -0.688023 -0.848848
C -3.777429 1.321142 0.551683
C -4.417963 0.407232 -0.336137
C -1.595512 -3.222682 -0.000545
C -5.910760 2.045274 0.201726
C -0.876964 -4.435802 -0.585006
H 2.099971 -1.043927 1.289634
H 3.007653 0.435261 -1.327461
H 1.713028 2.374472 -0.415955
H 1.684982 2.784557 1.302007
H 3.124607 3.128320 0.330376
H 4.566968 1.756367 2.006664
H 3.146315 1.335257 2.977157
H 4.181364 0.064193 2.302484
H 4.201605 -1.827694 0.044313
H -1.210599 -0.364891 2.861172
H 0.389917 0.421123 2.759195
H 0.233501 -1.350294 2.527815
H 7.343382 -1.377609 -1.505566
H 7.535191 -1.077892 0.228050
H 6.503365 -2.398032 -0.334716
H 7.032060 1.247085 -0.827041
H 5.809235 1.097541 -2.097194
H 5.359999 1.729284 -0.509761
H -1.973710 1.859482 1.605243
H -2.213080 -2.445181 -1.938974
H -0.687716 -1.781895 -1.381998
H -4.259450 -1.378635 -1.529470
H -1.060997 -2.866623 0.901720
H -2.609407 -3.510972 0.339847
H -6.087683 2.861119 -0.511442
H -6.690257 1.864205 0.952789
H -1.407213 -4.839918 -1.455061
H 0.138607 -4.183226 -0.912660
H -0.794870 -5.241641 0.152371


%chk=000236105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236105

0 1
O 0.553092 1.251148 -0.542381
O -5.148482 1.593716 1.107713
O -5.640357 0.385264 -0.904825
N -0.416695 0.039548 1.200999
C 3.016265 1.637571 1.431472
C 2.022609 0.447878 1.217523
C 3.286211 0.630073 0.306493
C 2.587990 3.048806 1.033591
C 3.851524 1.585584 2.710733
C 0.687122 0.624368 0.560882
C 4.390673 -0.366568 0.325997
C 4.789792 -1.145398 -0.724767
C -1.726089 0.089587 0.572543
C -0.326891 -0.548885 2.558491
C 5.958391 -2.106578 -0.582954
C 4.129620 -1.140197 -2.092247
C -2.003418 -0.638146 -0.622175
C -2.723017 0.880255 1.216171
C -0.954371 -1.500899 -1.308115
C -3.311440 -0.563784 -1.188019
C -3.989605 0.916517 0.639513
C -4.277271 0.208719 -0.544060
C -0.654664 -2.833736 -0.567464
C -6.129766 1.460402 -0.002073
C 0.437965 -3.658677 -1.280735
H 2.102071 -0.345015 1.967127
H 2.992277 1.005781 -0.681290
H 1.945970 3.036833 0.137399
H 2.027103 3.537059 1.853842
H 3.481297 3.665960 0.819751
H 4.814703 2.110905 2.565263
H 3.315929 2.087467 3.538375
H 4.074673 0.553035 3.033152
H 4.938322 -0.479069 1.273546
H -1.346685 -0.680051 2.951862
H 0.229435 0.110550 3.247314
H 0.160916 -1.543669 2.545901
H 5.646655 -3.148421 -0.798864
H 6.763189 -1.863559 -1.305794
H 6.393049 -2.081136 0.431678
H 4.862652 -0.881586 -2.882235
H 3.747699 -2.151776 -2.339291
H 3.284199 -0.437543 -2.163862
H -2.485984 1.456440 2.114328
H -1.301225 -1.743015 -2.331321
H -0.017021 -0.927769 -1.424283
H -3.547447 -1.107484 -2.106967
H -0.334465 -2.612595 0.468709
H -1.586783 -3.427715 -0.489728
H -6.168143 2.413235 -0.564605
H -7.103939 1.163361 0.414173
H 0.138131 -3.903351 -2.317410
H 1.387922 -3.092962 -1.330659
H 0.635813 -4.609580 -0.752620


