%chk=000260304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260304

0 1
O -2.446709 -3.677149 -0.808247
O -3.368896 -0.918519 -0.884378
O -4.983240 2.282818 2.251516
N 0.589519 -1.821084 0.083339
N 3.195319 -0.557588 0.098574
C 1.344017 -1.580908 -1.191182
C 1.559419 -2.056563 1.203676
C 2.237818 -0.335351 -1.028298
C 2.454343 -0.811945 1.372213
C -0.353262 -2.973227 -0.054772
C -1.640331 -2.484854 -0.750205
C 4.357572 0.260962 0.157584
C -2.359788 -1.396762 0.059063
C 4.862791 0.872754 -1.010693
C 5.090269 0.376670 1.363402
C 6.074950 1.572005 -0.976239
C 6.293896 1.076645 1.379184
C 6.795205 1.679621 0.223183
C 6.593630 2.202547 -2.229974
C -4.204714 0.094281 -0.486122
C -4.167453 0.716501 0.761022
C -5.136635 0.459381 -1.485382
C -5.108439 1.739969 0.994739
C -6.043287 1.474256 -1.206002
C -6.047831 2.131094 0.033292
C -5.889951 3.348995 2.626213
H 1.965706 -2.451885 -1.495446
H 0.610199 -1.397588 -2.005429
H 0.982920 -2.217565 2.140005
H 2.194268 -2.955813 1.043510
H 2.806415 -0.168228 -1.971829
H 1.607862 0.566169 -0.855280
H 1.834942 0.065844 1.664284
H 3.181793 -0.995439 2.196042
H -0.618500 -3.377625 0.947641
H 0.055589 -3.836824 -0.624951
H -1.460273 -2.138813 -1.793549
H -2.866302 -1.795739 0.952709
H -1.683228 -0.562958 0.324414
H 4.321779 0.790891 -1.950238
H 4.728584 -0.091126 2.275299
H -3.343114 -3.455688 -1.144514
H 6.853314 1.156332 2.311884
H 7.733129 2.223329 0.254877
H 6.824057 1.440068 -2.987843
H 7.511624 2.781012 -2.065284
H 5.855151 2.887119 -2.669667
H -3.461223 0.455821 1.539927
H -5.124413 -0.053018 -2.441522
H -6.769870 1.769819 -1.965102
H -6.765689 2.917693 0.223812
H -5.560796 3.574073 3.649014
H -5.751226 4.212792 1.969770
H -6.922812 2.989298 2.615956


%chk=000260304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260304

0 1
O -2.565004 -3.712378 -0.907674
O -3.512224 -1.055567 -0.950788
O -4.592975 2.556059 2.105214
N 0.623023 -1.991895 0.030090
N 3.203909 -0.645652 0.121214
C 1.410992 -1.779397 -1.207512
C 1.567620 -2.242607 1.143532
C 2.335081 -0.558618 -1.072229
C 2.490366 -1.032614 1.359247
C -0.405875 -3.051992 -0.104635
C -1.657543 -2.558265 -0.852659
C 4.327685 0.218615 0.216291
C -2.320293 -1.378556 -0.138883
C 4.813584 0.939606 -0.917482
C 5.038809 0.383888 1.447477
C 5.967233 1.757537 -0.854433
C 6.183538 1.200238 1.511321
C 6.661264 1.887120 0.372633
C 6.447293 2.484483 -2.101643
C -4.328954 0.008467 -0.530921
C -4.066169 0.787100 0.614819
C -5.462698 0.269557 -1.344457
C -4.951038 1.843910 0.948602
C -6.325221 1.321741 -0.991026
C -6.087699 2.123129 0.153502
C -5.453403 3.671788 2.504168
H 2.029000 -2.683421 -1.442783
H 0.729308 -1.605355 -2.058900
H 0.994244 -2.416827 2.072321
H 2.193949 -3.150134 0.948043
H 2.962799 -0.523887 -1.978243
H 1.718266 0.369194 -1.046684
H 1.889034 -0.179481 1.748790
H 3.222988 -1.312986 2.133101
H -0.720138 -3.371452 0.906642
H -0.025407 -3.960511 -0.629275
H -1.400690 -2.236087 -1.884853
H -2.635579 -1.668963 0.883924
H -1.628441 -0.517422 -0.090751
H 4.292699 0.880489 -1.877802
H 4.710234 -0.116802 2.361384
H -3.434171 -3.384080 -1.256630
H 6.706828 1.304280 2.469286
H 7.552083 2.521694 0.437749
H 6.816427 1.772229 -2.864432
H 7.271285 3.180252 -1.867571
H 5.632504 3.068918 -2.568685
H -3.202568 0.616008 1.261860
H -5.639636 -0.349015 -2.228647
H -7.201892 1.528543 -1.614872
H -6.776115 2.934996 0.402522
H -4.988655 4.082126 3.412677
H -5.491023 4.451677 1.718803
H -6.480534 3.326820 2.733253


