%chk=000197754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197754

0 1
O -3.167035 -1.776855 0.808475
N -1.003059 0.984052 -0.427175
N 1.371145 -0.595884 0.584816
C -0.617961 -1.505055 -0.715767
C 0.934103 0.074872 -1.815845
C -1.647674 -0.368039 -0.486284
C 1.999521 -0.173338 -0.712397
C 0.135485 -1.221328 -2.024551
C -0.038325 1.242679 -1.542653
C 0.397788 -1.723313 0.427801
C -2.417386 -0.539862 0.852723
C 2.842449 1.093360 -0.445639
C -2.056723 2.055509 -0.400978
C 2.434413 -0.977277 1.576011
C -3.498241 0.534349 1.023615
C 3.941973 0.802531 0.583280
C -2.867668 1.923121 0.899967
C 3.319427 0.246334 1.870031
H -1.202320 -2.453169 -0.825263
H 1.487495 0.323594 -2.754950
H -2.396708 -0.437975 -1.321822
H 2.686906 -0.974086 -1.103196
H 0.803021 -2.061518 -2.284753
H -0.566701 -1.119258 -2.871013
H 0.548082 2.139427 -1.233584
H -0.551552 1.497073 -2.496937
H -0.146234 -1.796459 1.397100
H 0.901335 -2.702273 0.262102
H -1.718910 -0.569245 1.716660
H 2.176400 1.894563 -0.060357
H 3.280494 1.464957 -1.386982
H -2.735072 2.024411 -1.280169
H -1.546929 3.042486 -0.416600
H 3.062556 -1.828115 1.235151
H 1.930239 -1.298236 2.512737
H -3.997884 0.410282 2.002426
H -4.292641 0.384565 0.266383
H 4.508778 1.725744 0.803810
H 4.673881 0.083596 0.170259
H -3.648364 2.703897 0.936521
H -2.196834 2.105841 1.765115
H 4.104583 -0.025681 2.596966
H 2.699998 1.032243 2.349322
H -2.574150 -2.542524 0.887842


%chk=000197754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197754

0 1
O -3.087772 -1.814255 0.963117
N -1.013572 0.990240 -0.502292
N 1.363700 -0.658400 0.556112
C -0.630119 -1.509699 -0.744020
C 0.931305 0.072700 -1.835652
C -1.641798 -0.357473 -0.471478
C 1.975190 -0.149915 -0.703136
C 0.128767 -1.227196 -2.059237
C -0.078916 1.222751 -1.625475
C 0.418595 -1.777625 0.361916
C -2.384365 -0.517735 0.884139
C 2.805084 1.117028 -0.396173
C -2.022018 2.069553 -0.400920
C 2.389176 -0.989593 1.573905
C -3.455615 0.564856 1.052582
C 3.897277 0.828071 0.656387
C -2.817976 1.964777 0.914046
C 3.252042 0.236444 1.929393
H -1.229231 -2.434864 -0.864274
H 1.512989 0.319000 -2.747329
H -2.425953 -0.442724 -1.277145
H 2.691616 -0.925828 -1.106320
H 0.803767 -2.071701 -2.301513
H -0.577848 -1.108881 -2.904086
H 0.445834 2.179029 -1.437835
H -0.633209 1.349101 -2.596614
H -0.065596 -1.980068 1.339026
H 0.956215 -2.725546 0.076455
H -1.632820 -0.424590 1.696132
H 2.125075 1.898074 -0.006990
H 3.256704 1.493007 -1.335683
H -2.737517 2.038302 -1.268275
H -1.494000 3.041020 -0.447689
H 3.062126 -1.816903 1.213331
H 1.870711 -1.364410 2.477662
H -3.951870 0.445474 2.032664
H -4.228220 0.415302 0.271899
H 4.459033 1.750639 0.897362
H 4.628607 0.102538 0.242250
H -3.601816 2.745710 0.939311
H -2.130936 2.150146 1.761681
H 4.027983 -0.058131 2.662368
H 2.607719 0.999577 2.406463
H -2.416646 -2.537808 1.046132


