%chk=000190391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190391

0 1
O 2.002250 -1.758559 -0.822561
O 3.539621 3.331161 -0.451484
N 4.574931 -1.331648 -0.125875
C -2.288667 -0.630803 0.409286
C -0.870962 -0.014428 0.618681
C -3.331448 0.277306 -0.322140
C -1.014542 1.375114 1.321420
C -3.382533 1.646768 0.397716
C -1.996296 2.278767 0.550699
C -2.266586 -2.017849 -0.256786
C -0.122296 0.145928 -0.738007
C -4.689533 -0.433369 -0.251620
C -0.041487 -0.960924 1.512648
C -3.044362 0.484466 -1.821898
C -3.627666 -2.709509 -0.085657
C -1.439697 1.260478 2.791835
C -4.790877 -1.768936 -0.176372
C 1.319086 0.530750 -0.619873
C -5.921452 0.416575 -0.324378
C 2.299729 -0.604136 -0.603055
C 1.757807 1.794601 -0.568479
C 3.761771 -0.244402 -0.312788
C 3.209288 2.161033 -0.431773
C 4.148524 1.059470 -0.263910
C 6.032453 -1.202150 0.127858
C 6.666573 -2.579177 0.273990
H -2.696566 -0.770869 1.449058
H -0.011127 1.870105 1.308964
H -3.844682 1.520488 1.395744
H -4.040948 2.342577 -0.154753
H -1.578444 2.516137 -0.446984
H -2.090392 3.251663 1.070458
H -1.469238 -2.650328 0.175260
H -2.024944 -1.921498 -1.333231
H -0.664997 0.894343 -1.363463
H -0.202008 -0.813318 -1.298756
H 0.266875 -1.859642 0.962219
H 0.865249 -0.472649 1.882341
H -0.608400 -1.298599 2.386246
H -2.941639 -0.476109 -2.340860
H -3.856565 1.032898 -2.309695
H -2.119965 1.055839 -1.983005
H -3.664541 -3.223751 0.898220
H -3.736543 -3.508888 -0.846568
H -0.648506 0.824132 3.409771
H -1.669227 2.246003 3.212273
H -2.335270 0.639261 2.909122
H -5.761951 -2.261871 -0.160643
H -6.107638 0.922476 0.632834
H -6.820274 -0.169060 -0.557098
H -5.836593 1.190541 -1.098246
H 1.082424 2.653115 -0.612396
H 5.179515 1.360957 -0.097557
H 4.192071 -2.269930 -0.248497
H 6.508638 -0.637198 -0.709631
H 6.187635 -0.597265 1.053889
H 6.234991 -3.149620 1.107065
H 6.560570 -3.185953 -0.634816
H 7.743363 -2.489118 0.473256


%chk=000190391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190391

0 1
O 2.087174 -1.814390 -0.574001
O 3.653862 3.392902 -0.126556
N 4.693525 -1.347624 -0.217473
C -2.315924 -0.616572 0.401070
C -0.906107 0.032995 0.696234
C -3.369819 0.264859 -0.381553
C -1.116397 1.450646 1.356717
C -3.478825 1.645544 0.339755
C -2.102935 2.322111 0.532783
C -2.268002 -2.045899 -0.195173
C -0.051434 0.158224 -0.631817
C -4.730275 -0.479042 -0.338206
C -0.126565 -0.884903 1.682020
C -3.051859 0.506524 -1.894160
C -3.622671 -2.755672 0.035442
C -1.563278 1.394088 2.843006
C -4.806207 -1.829175 -0.166655
C 1.411132 0.513070 -0.453744
C -5.997660 0.337892 -0.541999
C 2.414124 -0.590134 -0.429443
C 1.879606 1.802575 -0.382030
C 3.880364 -0.246542 -0.250057
C 3.323357 2.154022 -0.209796
C 4.295046 1.075719 -0.141449
C 6.150260 -1.289992 -0.064735
C 6.758966 -2.700815 -0.061305
H -2.769848 -0.734289 1.411532
H -0.129791 1.960501 1.353989
H -3.958410 1.502994 1.328759
H -4.141125 2.319892 -0.236929
H -1.665761 2.567010 -0.455766
H -2.241955 3.293001 1.048213
H -1.458801 -2.640439 0.264088
H -2.051559 -2.009484 -1.279404
H -0.507084 0.915397 -1.288721
H -0.106951 -0.814569 -1.151658
H 0.247562 -1.793809 1.182157
H 0.749904 -0.353472 2.099375
H -0.762833 -1.196299 2.529627
H -2.692185 -0.409954 -2.391803
H -3.969703 0.823531 -2.422252
H -2.303472 1.301804 -2.052446
H -3.658857 -3.164756 1.068810
H -3.717153 -3.634040 -0.635189
H -0.787435 0.947283 3.487510
H -1.750771 2.419424 3.213628
H -2.492795 0.814788 2.987100
H -5.800418 -2.301381 -0.155473
H -6.166554 1.051702 0.286777
H -6.881905 -0.320365 -0.603888
H -5.959139 0.938317 -1.472295
H 1.200715 2.661181 -0.454685
H 5.344448 1.355269 -0.012702
H 4.219643 -2.252161 -0.328297
H 6.584582 -0.686595 -0.889609
H 6.399961 -0.762515 0.879780
H 6.360089 -3.305625 0.773145
H 6.548323 -3.229524 -1.008745
H 7.854321 -2.641835 0.056496


