%chk=000190964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190964

0 1
I -5.976795 -1.612776 2.317543
O 4.283156 1.004938 -0.981027
O 2.860820 3.321762 0.867800
O 5.350997 3.516488 0.878453
O 6.762177 -0.334127 -1.254649
N 2.645451 -0.207975 0.210857
N 2.680948 -2.346654 1.071903
N 0.325659 -0.210042 -0.712450
N -0.849864 -2.359767 -0.286598
N -1.865766 -0.673934 -1.557848
N 0.150037 -4.157912 0.858526
N -8.090505 -0.056499 0.230148
C 3.427682 2.034699 1.023172
C 3.086735 1.131817 -0.200195
C 4.980880 2.143790 1.032906
C 5.463687 1.449912 -0.255174
C 6.354305 0.224803 -0.008966
C 1.390852 -0.773711 -0.075213
C 3.391801 -1.235667 0.900027
C 1.428362 -2.099397 0.483392
C 0.245071 -2.888530 0.351502
C -0.761638 -1.070007 -0.813417
C -2.077126 0.751044 -1.905324
C -2.684588 1.563348 -0.746388
C -4.099147 1.156809 -0.453809
C -4.374991 0.193717 0.523448
C -5.166817 1.735819 -1.166409
C -5.689987 -0.185922 0.787653
C -6.477486 1.360278 -0.912761
C -6.764430 0.374824 0.070025
H 2.986995 1.669610 1.976033
H 2.327342 1.583721 -0.893511
H 5.436596 1.746246 1.960545
H 5.947954 2.170088 -0.960387
H 5.835991 -0.554206 0.589792
H 7.311477 0.500776 0.476377
H 3.291440 3.802120 0.107915
H 4.983348 4.051593 1.625597
H 4.421753 -1.070080 1.195710
H 5.963463 -0.549887 -1.798969
H -2.715623 -1.237797 -1.450568
H -2.747078 0.774470 -2.794875
H -1.104394 1.205858 -2.213085
H -2.044900 1.456183 0.156830
H -2.633627 2.643538 -0.995187
H 0.940604 -4.580215 1.320345
H -0.692026 -4.699000 0.741904
H -3.551474 -0.258986 1.084133
H -4.961008 2.489684 -1.927375
H -7.291678 1.808931 -1.477050
H -8.311217 -0.598053 1.059455
H -8.822620 0.577478 -0.048955


%chk=000190964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190964

0 1
I -5.866097 -1.133039 2.628310
O 4.294729 0.696760 -0.876559
O 2.775629 3.183303 0.495920
O 5.256062 3.260977 1.528680
O 6.991102 0.751901 -1.857662
N 2.555276 -0.460390 0.286671
N 2.550672 -2.520069 1.302054
N 0.273756 -0.478860 -0.684444
N -0.932594 -2.575011 -0.155325
N -1.915741 -0.911942 -1.456198
N 0.019396 -4.304144 1.135124
N -8.022804 0.325245 0.552183
C 3.245382 1.885275 0.964439
C 2.998314 0.851486 -0.169408
C 4.798708 1.927841 1.111541
C 5.282103 1.663940 -0.326443
C 6.656984 1.009814 -0.458739
C 1.297826 -1.024969 0.018261
C 3.263613 -1.409302 1.058767
C 1.317545 -2.289491 0.659854
C 0.124983 -3.069925 0.547651
C -0.812987 -1.324046 -0.739868
C -2.035947 0.408344 -2.078038
C -2.590580 1.505618 -1.115255
C -4.010741 1.229703 -0.652052
C -4.261496 0.412794 0.480990
C -5.133948 1.730000 -1.360918
C -5.578847 0.111720 0.878406
C -6.448624 1.431180 -0.964045
C -6.715299 0.607601 0.173259
H 2.723777 1.597515 1.897369
H 2.224646 1.235339 -0.856864
H 5.154905 1.142293 1.807460
H 5.241472 2.604398 -0.909675
H 6.675116 0.070140 0.137495
H 7.437546 1.694467 -0.086386
H 3.446355 3.858465 0.798086
H 5.346348 3.301939 2.513165
H 4.294353 -1.252441 1.366317
H 6.245318 0.230340 -2.253091
H -2.721858 -1.536025 -1.413496
H -2.699461 0.317542 -2.957955
H -1.033396 0.712544 -2.423718
H -1.897662 1.579921 -0.257207
H -2.546852 2.473217 -1.652130
H 0.807311 -4.680867 1.656988
H -0.845869 -4.829936 1.035947
H -3.417351 0.016271 1.054014
H -4.975469 2.371404 -2.236841
H -7.298741 1.837650 -1.525792
H -8.211908 -0.256871 1.365256
H -8.804158 0.703580 0.025703


