%chk=000268978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268978

0 1
O -2.615479 1.997564 0.609542
O 3.879627 1.725311 -1.947107
N -5.238668 -1.249561 0.381448
N 4.196815 -0.101591 1.799952
C 0.032979 -1.627465 -1.816493
C -1.339427 -1.494931 -1.210940
C 1.130791 -1.182412 -0.887332
C -3.047548 -0.203500 -0.063646
C 3.077986 0.178117 -0.381280
C -1.740883 -0.319668 -0.610474
C 2.030677 -0.209264 -1.263337
C -3.946456 -1.303834 -0.137361
C 3.192576 -0.438789 0.895291
C -2.242780 -2.600025 -1.283801
C 1.244868 -1.800567 0.398439
C -3.510577 -2.513916 -0.765443
C 2.242640 -1.444154 1.268429
C -3.539680 0.988949 0.583911
C 4.061389 1.182945 -0.702620
C -4.816144 1.041769 1.098287
C 5.054459 1.516696 0.191538
C -5.646613 -0.121965 0.972371
C 5.084884 0.836257 1.454624
C -7.035991 -0.089466 1.522081
C 6.152719 1.178830 2.442556
C -2.986683 3.242004 1.257272
C 4.814219 2.745376 -2.384649
H 0.231585 -2.678980 -2.121412
H 0.058619 -1.047273 -2.766126
H -1.067991 0.538110 -0.535522
H 1.969272 0.286041 -2.233626
H -1.908447 -3.521698 -1.760897
H 0.511518 -2.560147 0.675544
H -4.211315 -3.348891 -0.813612
H 2.341929 -1.904348 2.252908
H -5.214933 1.918622 1.590319
H 5.807060 2.264607 -0.018344
H -7.564145 -1.043940 1.356921
H -7.030840 0.095417 2.605118
H -7.634164 0.699583 1.046178
H 7.152490 0.980731 2.032316
H 6.106755 2.238733 2.727536
H 6.057844 0.587346 3.369165
H -2.070936 3.835820 1.136564
H -3.205924 3.067117 2.314628
H -3.829337 3.703114 0.734421
H 5.826341 2.333542 -2.435930
H 4.759582 3.615977 -1.724744
H 4.431934 2.982509 -3.386066


%chk=000268978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268978

0 1
O -2.623757 1.904240 0.927493
O 4.000252 1.643454 -2.099934
N -5.414071 -1.216168 0.162260
N 4.286481 0.039683 1.831458
C 0.048924 -1.701134 -1.705624
C -1.372878 -1.547219 -1.161418
C 1.158928 -1.196621 -0.790291
C -3.114694 -0.247279 -0.009307
C 3.154998 0.188212 -0.391498
C -1.772396 -0.395869 -0.467458
C 2.093169 -0.254287 -1.238049
C -4.086089 -1.288591 -0.254941
C 3.277447 -0.337531 0.947920
C -2.338613 -2.579017 -1.399886
C 1.280683 -1.711303 0.544497
C -3.659384 -2.455580 -0.961290
C 2.310432 -1.295864 1.389298
C -3.580690 0.915415 0.708569
C 4.145087 1.152966 -0.802066
C -4.913526 0.981989 1.126034
C 5.156460 1.528017 0.088523
C -5.802410 -0.110883 0.830391
C 5.191629 0.943824 1.402940
C -7.248477 -0.040256 1.279850
C 6.287406 1.344975 2.370716
C -3.035338 3.105079 1.662826
C 4.981636 2.626210 -2.572206
H 0.219426 -2.773189 -1.931855
H 0.120310 -1.171360 -2.676811
H -1.054716 0.404124 -0.260967
H 2.024717 0.158684 -2.249913
H -2.027732 -3.483441 -1.937878
H 0.542094 -2.439578 0.899894
H -4.402812 -3.238994 -1.137247
H 2.414752 -1.684248 2.407004
H -5.305053 1.843511 1.673769
H 5.926593 2.254670 -0.184071
H -7.775998 -0.951563 0.959580
H -7.322670 0.045920 2.380671
H -7.760848 0.839683 0.846579
H 7.288722 1.109736 1.962545
H 6.263673 2.432108 2.576016
H 6.154739 0.801890 3.318766
H -2.132550 3.730037 1.717559
H -3.377971 2.848152 2.683309
H -3.837012 3.645624 1.124137
H 6.002768 2.199370 -2.573488
H 4.959970 3.540848 -1.949426
H 4.674985 2.866252 -3.600382


