%chk=000198997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198997

0 1
O 2.956637 2.030224 -0.050693
N 0.954009 0.063620 0.559597
N -1.881930 0.492321 1.024743
N -3.473869 -1.228371 0.522171
N -3.415519 0.845591 -0.782425
C 0.087162 -1.065727 1.026517
C 0.181053 1.022050 -0.302528
C -1.095670 -0.486081 1.830284
C -1.010761 1.582623 0.495191
C 2.210621 -0.322959 -0.027807
C -2.918580 0.009343 0.212542
C 3.209805 0.669645 -0.225647
C 2.548652 -1.650801 -0.343989
C 4.477713 0.349142 -0.717605
C 3.820881 -1.972474 -0.827810
C 4.783168 -0.980027 -1.022376
C -4.586719 -1.591348 -0.156903
C -4.528616 0.435608 -1.432510
C -5.162995 -0.784424 -1.149785
C 2.867924 2.444298 1.339701
H 0.690410 -1.723797 1.690187
H -0.296707 -1.693645 0.192537
H -0.173132 0.548872 -1.243428
H 0.861659 1.859876 -0.595221
H -1.751457 -1.310118 2.194975
H -0.725432 0.058813 2.729173
H -0.653092 2.165329 1.374775
H -1.601844 2.282748 -0.139946
H 1.819134 -2.449601 -0.226932
H 5.207903 1.144670 -0.860248
H 4.056526 -3.009960 -1.061541
H 5.768044 -1.236434 -1.406899
H -5.013835 -2.566746 0.110343
H -4.908598 1.114788 -2.207033
H -6.055907 -1.092088 -1.679712
H 2.062200 1.906421 1.850692
H 2.644056 3.512044 1.247358
H 3.830104 2.279573 1.830851


%chk=000198997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198997

0 1
O 2.945235 2.082899 -0.014740
N 1.071103 -0.134590 0.225718
N -1.770357 0.154831 0.458086
N -3.752719 -1.120823 0.613645
N -3.667003 0.952234 -0.701670
C 0.240753 -1.283973 0.647511
C 0.330224 0.793534 -0.677999
C -1.053063 -0.791229 1.328897
C -0.960308 1.296043 -0.005923
C 2.449362 -0.364202 -0.053490
C -3.095993 -0.008407 0.115498
C 3.368371 0.732224 -0.173076
C 2.985933 -1.676432 -0.196686
C 4.724228 0.516504 -0.482873
C 4.353557 -1.889285 -0.475182
C 5.229986 -0.794171 -0.638962
C -5.058373 -1.255381 0.264758
C -4.974202 0.770905 -1.021376
C -5.737591 -0.328421 -0.561202
C 2.604085 2.442403 1.379070
H 0.807405 -1.892909 1.373840
H -0.029396 -1.935156 -0.217568
H 0.066900 0.268621 -1.624990
H 0.981317 1.647863 -0.919699
H -1.725209 -1.633859 1.551189
H -0.787574 -0.280863 2.278069
H -0.698437 1.932354 0.864900
H -1.566432 1.886391 -0.709268
H 2.321570 -2.542706 -0.121284
H 5.370813 1.395293 -0.578395
H 4.726082 -2.914140 -0.583665
H 6.287710 -0.953582 -0.872478
H -5.568280 -2.139660 0.665197
H -5.415303 1.537570 -1.669413
H -6.788613 -0.454605 -0.828808
H 1.799789 1.789966 1.768020
H 2.267507 3.490219 1.341358
H 3.499925 2.357538 2.023588


