%chk=000239139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239139

0 1
O 1.784680 -3.895561 -2.018825
N -5.152636 1.661560 -0.201332
N 4.432955 2.790588 -0.296428
C -0.013088 -0.605846 1.127709
C -1.348224 -0.003534 0.736176
C 1.149576 0.272905 0.711231
C 0.124778 -2.028634 0.610268
C -1.925214 0.974859 1.560916
C 2.336762 0.236745 1.459596
C -2.023400 -0.382820 -0.431824
C 1.083249 1.119301 -0.403499
C 0.910585 -2.334991 -0.501650
C -0.569341 -3.056882 1.281085
C -3.833847 1.171862 0.060484
C 3.365264 1.879828 -0.014907
C -3.145725 1.558931 1.233912
C 3.430947 1.022057 1.107533
C -3.246334 0.192398 -0.771300
C 2.170153 1.911552 -0.767811
C 0.991112 -3.674390 -0.915794
C -0.471490 -4.377568 0.846027
C 0.314545 -4.711806 -0.262684
C -5.479288 2.994727 0.379623
C -5.618399 1.562927 -1.613421
C 5.783439 2.376307 0.179461
C 4.493520 3.313071 -1.690944
H 0.006057 -0.667966 2.254744
H -1.409868 1.291531 2.468004
H 2.411812 -0.419786 2.326475
H -1.590616 -1.139288 -1.089488
H 0.169041 1.163403 -0.998364
H 1.463615 -1.569918 -1.045688
H -1.195293 -2.814358 2.136841
H -3.569387 2.307379 1.899651
H 4.332343 0.975870 1.714075
H -3.747577 -0.135473 -1.678837
H 2.079036 2.563946 -1.632896
H -1.013418 -5.163246 1.372962
H 0.391774 -5.738075 -0.598842
H -5.342824 2.961316 1.475075
H -6.541960 3.222719 0.197645
H -4.869830 3.818172 -0.023346
H -6.671475 1.882039 -1.674349
H -5.585867 0.507432 -1.936877
H -5.028518 2.164854 -2.321598
H 5.755686 2.221645 1.272545
H 6.503281 3.188934 -0.009496
H 6.160367 1.456729 -0.294204
H 3.546546 3.828306 -1.930357
H 4.671687 2.536929 -2.451158
H 5.294005 4.066756 -1.764852
H 1.813603 -4.849938 -2.268869


%chk=000239139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239139

0 1
O 1.854235 -4.107529 -1.993571
N -5.056915 1.919194 -0.354397
N 4.633507 2.578615 -0.481203
C 0.002728 -0.616226 1.048853
C -1.349756 0.008974 0.666408
C 1.199677 0.254713 0.634531
C 0.120890 -2.079909 0.580033
C -1.896281 1.041249 1.469589
C 2.401295 0.207819 1.385213
C -2.076650 -0.365672 -0.489252
C 1.178988 1.101250 -0.499979
C 0.944624 -2.459093 -0.501841
C -0.635242 -3.078617 1.253820
C -3.844245 1.297082 -0.022778
C 3.513009 1.817717 -0.117730
C -3.109617 1.675567 1.146417
C 3.533873 0.964370 1.031241
C -3.293967 0.255857 -0.834059
C 2.300770 1.866777 -0.875392
C 1.008984 -3.813395 -0.903521
C -0.563461 -4.426280 0.849174
C 0.259827 -4.809137 -0.235604
C -5.593113 2.981345 0.501652
C -5.790374 1.501616 -1.553117
C 5.856787 2.513076 0.323640
C 4.579136 3.441703 -1.664797
H 0.019601 -0.656119 2.159132
H -1.354013 1.362844 2.368445
H 2.455371 -0.441275 2.269397
H -1.692152 -1.168918 -1.128582
H 0.261547 1.177882 -1.094679
H 1.553409 -1.720745 -1.031879
H -1.284260 -2.789258 2.088552
H -3.485876 2.463285 1.805677
H 4.432612 0.891088 1.650804
H -3.817352 -0.076380 -1.735363
H 2.227064 2.507392 -1.759249
H -1.146341 -5.189259 1.377489
H 0.318362 -5.860264 -0.548043
H -5.792266 2.622843 1.533257
H -6.544546 3.345873 0.082428
H -4.900317 3.845655 0.572734
H -6.711278 2.099172 -1.646915
H -6.082070 0.431418 -1.508884
H -5.193565 1.649904 -2.477263
H 5.683391 2.842288 1.369583
H 6.620960 3.174323 -0.115390
H 6.276034 1.485878 0.358254
H 3.797808 4.224907 -1.572016
H 4.369003 2.863562 -2.588618
H 5.549525 3.946722 -1.796318
H 1.837438 -5.076387 -2.193486


