%chk=000225577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225577

0 1
O 3.971851 -1.344950 -0.126668
N 0.535460 0.052207 0.018910
N -2.233903 0.278425 -0.335234
C -0.023777 1.448534 -0.020237
C -1.690996 -1.054439 0.087966
C -0.311147 -0.893114 0.801844
C -1.553931 1.432488 0.311451
C 0.195262 1.958794 -1.454683
C 0.639983 2.412069 0.991570
C 1.976681 -0.052831 0.381554
C -1.537931 -1.891069 -1.192258
C -2.654148 -1.762645 1.068401
C 2.568182 -1.237164 -0.408046
H -0.454263 -0.574368 1.855427
H 0.190326 -1.883177 0.840878
H -1.700210 1.455965 1.412665
H -2.015217 2.361178 -0.089862
H -3.242763 0.334841 -0.170549
H 1.243665 1.891502 -1.757602
H -0.383139 1.337840 -2.157328
H -0.131589 2.993873 -1.573950
H 0.131287 3.381207 1.008632
H 0.623921 2.010128 2.008502
H 1.684582 2.614456 0.732273
H 2.160267 -0.193686 1.467662
H 2.512398 0.878196 0.095407
H -1.208562 -2.909729 -0.979605
H -2.475113 -1.940787 -1.755453
H -0.793686 -1.420586 -1.853308
H -2.838692 -1.168442 1.967297
H -3.622181 -1.966009 0.598054
H -2.254394 -2.729910 1.389755
H 2.406624 -1.131456 -1.494445
H 2.172670 -2.212141 -0.070592
H 4.458482 -0.591299 -0.508627


%chk=000225577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225577

0 1
O 3.951895 -1.477659 -0.407333
N 0.531199 0.095775 0.092060
N -2.074747 0.194121 -0.498892
C -0.015686 1.494440 0.031413
C -1.662500 -1.107495 0.113223
C -0.307382 -0.846012 0.848828
C -1.570176 1.383327 0.198842
C 0.308343 2.092635 -1.357656
C 0.520224 2.408278 1.171996
C 1.985287 -0.075255 0.258176
C -1.470611 -2.134299 -1.025608
C -2.707039 -1.619033 1.143275
C 2.527727 -1.194391 -0.660255
H -0.513872 -0.492881 1.891567
H 0.225275 -1.808691 0.945749
H -1.815537 1.398712 1.291362
H -2.029490 2.285795 -0.243678
H -3.076635 0.228816 -0.721856
H 1.389738 2.034377 -1.581690
H -0.238269 1.519795 -2.126401
H 0.009585 3.157168 -1.412182
H -0.034294 3.365583 1.193003
H 0.395518 1.921834 2.158142
H 1.590237 2.649199 1.037969
H 2.282432 -0.310772 1.307727
H 2.494986 0.871103 -0.006587
H -1.247565 -3.143699 -0.629306
H -2.384275 -2.202754 -1.645323
H -0.641175 -1.803592 -1.674400
H -2.923858 -0.841635 1.900721
H -3.655401 -1.884949 0.638400
H -2.345660 -2.520949 1.673478
H 2.342497 -0.925528 -1.720688
H 2.020148 -2.150747 -0.452263
H 4.485079 -0.676714 -0.642013


