%chk=000237367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237367

0 1
O -1.928050 2.162254 0.571085
O 1.177760 0.507785 -3.474710
N 0.722422 0.997676 -2.247998
C -0.513798 0.179963 0.594750
C 0.778479 0.918022 0.145054
C 1.958871 0.875718 1.171283
C -1.751686 0.863882 -0.040571
C -3.075673 0.091640 0.234311
C -2.928048 -1.321746 -0.384417
C 2.588644 -0.539360 1.221040
C -0.521102 -1.293235 0.311898
C 1.255529 0.408467 -1.209171
C -1.603279 -1.971583 -0.096664
C 3.028719 1.895311 0.731118
C 1.466588 1.263277 2.575815
C -3.351623 -0.002349 1.741460
C -4.229729 0.838638 -0.455077
C 2.897222 -1.091348 -0.142354
C 2.264054 -0.657190 -1.246231
C -1.565220 -3.452293 -0.324087
C 3.937305 -2.162882 -0.190938
H -0.604728 0.306793 1.711660
H 0.501384 2.004622 0.041626
H -1.610276 1.011011 -1.134566
H -3.054504 -1.263811 -1.486330
H -3.759272 -1.960910 -0.027946
H 1.889762 -1.236878 1.733452
H 3.498556 -0.517196 1.851350
H 0.427302 -1.798475 0.483067
H 2.625198 2.911220 0.676210
H 3.871006 1.917975 1.429381
H 3.434375 1.653771 -0.259154
H 1.091455 2.292772 2.600176
H 0.643812 0.616641 2.912393
H 2.268216 1.193315 3.317361
H -4.358412 -0.375476 1.947225
H -2.641965 -0.668672 2.241890
H -3.261363 0.990844 2.204294
H -5.192915 0.355738 -0.270927
H -4.291381 1.867690 -0.071353
H -4.090161 0.908063 -1.537739
H 2.472670 -1.064814 -2.237420
H -1.208084 2.758805 0.284098
H -2.181495 -3.979976 0.416328
H -0.550353 -3.864130 -0.255945
H -1.949733 -3.714612 -1.318936
H 4.938723 -1.744422 -0.011255
H 3.974753 -2.672539 -1.163793
H 3.765465 -2.935150 0.570799
H 0.655881 1.067450 -4.135643


%chk=000237367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237367

0 1
O -1.726852 2.118078 -0.483666
O 1.174869 1.516353 -3.280773
N 0.720267 1.714573 -1.892106
C -0.574422 0.226943 0.674914
C 0.795423 0.955928 0.388188
C 2.004066 0.649044 1.350621
C -1.655235 0.657295 -0.361735
C -3.058856 0.092348 -0.005042
C -2.958575 -1.461841 -0.081589
C 2.731732 -0.681710 0.978928
C -0.582646 -1.289798 0.776567
C 1.252348 0.821806 -1.064454
C -1.665839 -2.055928 0.463724
C 3.025805 1.816414 1.208341
C 1.542262 0.588377 2.827899
C -3.505964 0.540122 1.411396
C -4.091253 0.592923 -1.044643
C 2.875220 -0.956513 -0.506977
C 2.185504 -0.233083 -1.445181
C -1.649008 -3.566296 0.611547
C 3.827820 -2.063765 -0.897933
H -0.892000 0.644713 1.654299
H 0.550839 2.024854 0.544309
H -1.370120 0.222505 -1.345853
H -3.070596 -1.786840 -1.139498
H -3.824376 -1.906033 0.454399
H 2.224223 -1.549544 1.449187
H 3.744214 -0.669144 1.436436
H 0.311493 -1.794600 1.159159
H 2.555664 2.782802 1.469151
H 3.885376 1.662520 1.887647
H 3.414517 1.897084 0.177390
H 1.046837 1.530912 3.127663
H 0.836541 -0.241144 3.010702
H 2.415005 0.442192 3.492554
H -4.569038 0.280103 1.573590
H -2.917717 0.046139 2.206624
H -3.395743 1.633910 1.518455
H -5.072455 0.106344 -0.882786
H -4.216851 1.685478 -0.966562
H -3.760115 0.363251 -2.075797
H 2.334669 -0.414879 -2.514193
H -0.966070 2.375661 -1.084668
H -2.420109 -3.906512 1.331486
H -0.668510 -3.936142 0.959840
H -1.879146 -4.062520 -0.352721
H 4.861524 -1.830327 -0.573498
H 3.837958 -2.236115 -1.987249
H 3.551600 -3.014776 -0.400020
H 0.697019 2.239133 -3.762175


