%chk=000233688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233688

0 1
O 0.624123 -2.204054 0.608004
O 0.127794 -0.088573 -0.135605
N -5.195064 0.542880 -0.202994
N -3.438590 -1.755715 -0.269034
N 2.336739 -0.814347 0.273396
C -3.711918 0.736208 -0.313217
C -3.103993 -0.503357 -1.021352
C -5.531806 -0.715216 0.535957
C -4.928006 -1.922721 -0.210028
C -5.882373 1.732308 0.396545
C -2.794188 -2.962770 -0.884507
C -2.982818 1.009834 1.009733
C -1.261429 -2.869760 -0.793565
C -7.339840 1.769395 -0.099550
C -0.803708 -2.549769 0.624942
C -8.064845 3.013332 0.405106
C 0.942354 -0.920108 0.203792
C 3.088058 0.357362 -0.054167
C 4.528397 0.284377 0.079628
C 5.285425 1.440872 -0.245065
C 2.474949 1.518146 -0.483776
C 5.219990 -0.887486 0.519902
C 4.624573 2.629528 -0.688024
C 3.257699 2.658994 -0.801244
C 6.712457 1.399810 -0.123045
C 6.588312 -0.901113 0.628487
C 7.346114 0.260073 0.302013
H -3.563060 1.617926 -0.993693
H -1.993370 -0.388507 -1.039663
H -3.454475 -0.529974 -2.074754
H -5.170529 -0.706204 1.587728
H -6.637639 -0.818368 0.566355
H -5.394258 -2.011893 -1.215378
H -5.159754 -2.852686 0.349485
H -5.360023 2.655859 0.064579
H -5.852762 1.737740 1.506432
H -3.085984 -3.123095 -1.945398
H -3.144146 -3.853972 -0.317475
H -3.310076 1.938988 1.479567
H -1.897480 1.078644 0.844617
H -3.134866 0.190098 1.722424
H -0.807768 -3.814768 -1.147137
H -0.888106 -2.081687 -1.483389
H -7.350283 1.739855 -1.207964
H -7.876838 0.857405 0.225174
H -0.793894 -3.425010 1.296163
H -1.368106 -1.709678 1.077618
H -8.090655 3.053016 1.499770
H -7.583359 3.933102 0.053578
H -9.102263 3.034144 0.052126
H 2.857597 -1.641072 0.592413
H 1.386309 1.581524 -0.586509
H 4.647592 -1.781260 0.772270
H 5.225656 3.503110 -0.931051
H 2.742932 3.559893 -1.137652
H 7.280547 2.294380 -0.375579
H 7.113501 -1.793817 0.963895
H 8.430657 0.223177 0.396716


%chk=000233688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233688

0 1
O 0.739326 -2.009137 0.598518
O 0.339039 0.197877 -0.136650
N -5.435626 0.490066 -0.162193
N -3.497237 -1.655184 -0.270731
N 2.517386 -0.672084 0.252562
C -3.981607 0.794544 -0.331835
C -3.306931 -0.399640 -1.044812
C -5.660041 -0.773717 0.576545
C -4.946032 -1.940376 -0.126609
C -6.241808 1.629903 0.333747
C -2.762610 -2.814526 -0.833334
C -3.225048 1.172459 0.973077
C -1.227720 -2.633284 -0.804793
C -7.730392 1.543826 -0.071462
C -0.731774 -2.257471 0.598298
C -8.532855 2.771869 0.411110
C 1.132823 -0.719425 0.197577
C 3.372953 0.418032 -0.056002
C 4.804123 0.211007 0.071726
C 5.688483 1.318258 -0.238284
C 2.869444 1.661530 -0.471073
C 5.394794 -1.029716 0.488488
C 5.141888 2.574319 -0.659585
C 3.760792 2.732558 -0.770985
C 7.106418 1.135905 -0.117352
C 6.780527 -1.176549 0.596662
C 7.648394 -0.083124 0.291176
H -3.923106 1.657089 -1.026842
H -2.228532 -0.186165 -1.139284
H -3.743963 -0.497320 -2.070864
H -5.307459 -0.715836 1.636459
H -6.744393 -0.986131 0.600935
H -5.427329 -2.104544 -1.125143
H -5.070333 -2.863900 0.471007
H -5.815676 2.555129 -0.103376
H -6.176053 1.745358 1.446621
H -3.074180 -3.032607 -1.888547
H -3.038514 -3.702438 -0.229483
H -3.700840 2.032953 1.477796
H -2.180300 1.445421 0.735966
H -3.197186 0.321257 1.675387
H -0.752283 -3.575622 -1.136285
H -0.919761 -1.847063 -1.517114
H -7.786391 1.453269 -1.172770
H -8.185823 0.624201 0.345514
H -0.860248 -3.083482 1.316661
H -1.254095 -1.359142 0.964109
H -8.498026 2.865301 1.513366
H -8.125931 3.707571 -0.017463
H -9.594543 2.699087 0.112763
H 2.944278 -1.545667 0.561763
H 1.790280 1.798792 -0.559497
H 4.774627 -1.900429 0.734045
H 5.823596 3.400606 -0.890377
H 3.339630 3.691306 -1.092279
H 7.762123 1.982091 -0.355036
H 7.204194 -2.134486 0.917016
H 8.733030 -0.207519 0.378768


