%chk=000245766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245766

0 1
O 0.992497 -2.151981 -1.442536
N -2.603785 -1.226001 -0.217161
N 1.354619 0.921406 0.216731
N 1.855488 -0.367965 -0.185247
C -4.004071 -1.380711 -0.740656
C -2.070325 -2.537228 0.282995
C -4.925827 -1.893821 0.378217
C -2.965349 -3.073346 1.411909
C -4.417381 -3.225886 0.942985
C -1.720533 -0.663099 -1.299739
C -0.405254 -0.256961 -0.732568
C -0.078712 0.864530 -0.024552
C 0.804821 -1.089139 -0.901803
C -0.929204 1.983089 0.396029
C 3.255159 -0.477574 -0.511673
C 1.749853 1.260980 1.616396
C -2.147139 1.724754 1.044487
C -0.535875 3.307918 0.137575
C 3.776008 -1.777454 -0.671880
C 4.090038 0.646591 -0.634346
C -2.960181 2.790058 1.440724
C -1.356830 4.365088 0.533628
C 5.135908 -1.938098 -0.933623
C 5.450900 0.460701 -0.889466
C -2.567283 4.107722 1.187923
C 5.978736 -0.824987 -1.035280
H -4.061174 -2.061694 -1.617096
H -4.353543 -0.381340 -1.078883
H -1.044434 -2.360316 0.673991
H -1.975972 -3.296132 -0.523729
H -5.954275 -2.004697 -0.010187
H -4.975153 -1.140516 1.189256
H -2.923277 -2.381029 2.275800
H -2.569671 -4.041971 1.767902
H -5.057580 -3.554669 1.781866
H -4.487291 -4.017826 0.173376
H -1.559859 -1.376163 -2.143386
H -2.228263 0.234857 -1.725750
H 2.851210 1.293642 1.690388
H 1.382426 0.544656 2.369677
H 1.357563 2.263494 1.858428
H -2.459812 0.687481 1.225029
H 0.403730 3.505154 -0.379570
H 3.114746 -2.645587 -0.610869
H 3.684108 1.653184 -0.552412
H -3.904355 2.589300 1.945074
H -1.055853 5.391512 0.330387
H 5.542804 -2.941215 -1.060625
H 6.102147 1.329090 -0.982056
H -3.204220 4.935175 1.497115
H 7.038919 -0.961178 -1.234195


%chk=000245766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245766

0 1
O 0.947366 -2.203783 -1.464686
N -2.689543 -1.272620 -0.186382
N 1.359936 0.911182 0.231431
N 1.874376 -0.315866 -0.303760
C -4.014507 -1.531972 -0.814579
C -2.150306 -2.501975 0.461071
C -5.037345 -2.022592 0.229093
C -3.116621 -3.019949 1.544169
C -4.518660 -3.287782 0.950641
C -1.740957 -0.703162 -1.199258
C -0.407667 -0.298027 -0.634498
C -0.050093 0.871341 0.026713
C 0.802056 -1.096285 -0.864683
C -0.889264 2.006627 0.450567
C 3.266546 -0.455164 -0.575660
C 1.886852 1.243086 1.586684
C -2.228474 1.785732 0.878407
C -0.384907 3.338260 0.408325
C 3.823955 -1.756155 -0.686685
C 4.087417 0.689820 -0.755118
C -3.035014 2.878009 1.264016
C -1.195865 4.422880 0.800002
C 5.198535 -1.897708 -0.969648
C 5.463546 0.529732 -1.021016
C -2.524106 4.196976 1.234282
C 6.028001 -0.762547 -1.128260
H -3.927605 -2.295916 -1.631521
H -4.365364 -0.591347 -1.281529
H -1.169726 -2.256116 0.906025
H -1.970502 -3.303677 -0.299742
H -6.003788 -2.224747 -0.271760
H -5.207260 -1.217464 0.971029
H -3.194865 -2.261682 2.348263
H -2.699721 -3.941608 1.993825
H -5.224910 -3.600927 1.742947
H -4.455274 -4.124072 0.223666
H -1.548784 -1.438538 -2.017354
H -2.240615 0.179075 -1.644816
H 2.975280 1.398057 1.535274
H 1.668677 0.429305 2.305258
H 1.405490 2.169916 1.929714
H -2.614467 0.755601 0.898018
H 0.629496 3.517287 0.033243
H 3.176571 -2.628643 -0.576543
H 3.637766 1.687597 -0.723362
H -4.064157 2.697790 1.594786
H -0.798745 5.443113 0.755934
H 5.623367 -2.903399 -1.061656
H 6.091225 1.416993 -1.161048
H -3.153897 5.040316 1.539173
H 7.095749 -0.883174 -1.340394


