%chk=000198712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198712

0 1
O 1.028555 -0.216664 0.373206
N 4.367863 0.964915 -0.545792
C -0.998352 -1.371025 0.925974
C -2.000584 -2.232652 0.049153
C -0.854951 -2.715580 -0.914570
C -0.300266 -0.446745 -0.163223
C -0.237748 -1.381069 -1.410882
C 0.073063 -2.442017 1.318056
C 0.166524 -3.352500 0.066430
C -1.595564 -0.655628 2.113877
C -2.673160 -3.368903 0.828848
C -3.110523 -1.444521 -0.649326
C -0.932319 0.919921 -0.376877
C 1.970577 0.455561 -0.501604
C -1.663554 1.252312 -1.523541
C -0.737349 1.906635 0.607160
C 3.268700 0.429791 0.320045
C -2.212088 2.529828 -1.676937
C -1.284350 3.181363 0.457451
C -2.027932 3.496311 -0.685718
C 5.688915 0.414296 -0.119090
C 4.395004 2.457884 -0.511988
H -1.174852 -3.380995 -1.722499
H 0.805194 -1.516225 -1.744291
H -0.789141 -0.978886 -2.274445
H -0.233069 -3.000755 2.212933
H 1.041279 -1.968370 1.554345
H 1.183376 -3.362945 -0.352874
H -0.091890 -4.396073 0.295938
H -2.360299 0.070722 1.810935
H -2.073076 -1.360993 2.804138
H -0.825436 -0.113141 2.676799
H -3.121606 -4.097746 0.145480
H -1.981868 -3.918351 1.475491
H -3.468855 -2.980245 1.474383
H -2.778778 -0.968586 -1.578028
H -3.954792 -2.087195 -0.922098
H -3.499391 -0.652356 0.001252
H 2.066916 -0.108296 -1.446404
H 1.611634 1.476301 -0.708912
H -1.813218 0.505461 -2.307847
H -0.137071 1.664240 1.486975
H 3.127934 0.983937 1.271219
H 3.483429 -0.622928 0.608772
H -2.781619 2.769333 -2.572714
H -1.130497 3.932538 1.229601
H -2.456216 4.489212 -0.802305
H 5.673258 -0.681585 -0.234892
H 5.979812 0.651846 0.914188
H 6.470808 0.796939 -0.794761
H 4.614102 2.896072 0.472440
H 3.421211 2.845202 -0.852241
H 5.152659 2.815857 -1.227328


%chk=000198712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198712

0 1
O 1.077985 -0.334599 0.364531
N 4.394291 1.118803 -0.571445
C -1.070699 -1.420208 0.961136
C -2.071697 -2.302252 0.090791
C -0.931224 -2.821251 -0.850770
C -0.317365 -0.527019 -0.156002
C -0.317982 -1.502278 -1.392683
C -0.036114 -2.513602 1.401259
C 0.093294 -3.443711 0.146728
C -1.685600 -0.678243 2.150932
C -2.771799 -3.433102 0.890265
C -3.205734 -1.526169 -0.622046
C -0.877259 0.894924 -0.396951
C 1.998625 0.412599 -0.505656
C -1.458162 1.332057 -1.614736
C -0.711551 1.867218 0.630191
C 3.363301 0.384337 0.200888
C -1.886736 2.668412 -1.791723
C -1.142936 3.198895 0.464382
C -1.741588 3.609353 -0.750004
C 5.765332 0.670965 -0.255102
C 4.264465 2.587040 -0.465012
H -1.257733 -3.509842 -1.650139
H 0.709880 -1.658413 -1.764728
H -0.911591 -1.121432 -2.239072
H -0.435246 -3.057597 2.276321
H 0.921594 -2.060141 1.690973
H 1.114958 -3.429397 -0.273397
H -0.152196 -4.495005 0.382037
H -2.406291 0.098443 1.840451
H -2.216543 -1.394678 2.805527
H -0.906231 -0.193111 2.766195
H -3.363543 -4.062559 0.198321
H -2.078784 -4.096741 1.431011
H -3.477199 -3.007985 1.628740
H -2.862745 -0.652974 -1.192170
H -3.745643 -2.198876 -1.315978
H -3.940828 -1.158952 0.119021
H 2.090045 -0.063205 -1.502553
H 1.637717 1.450259 -0.648583
H -1.572086 0.641983 -2.457404
H -0.207295 1.573422 1.555667
H 3.242970 0.782572 1.239787
H 3.681089 -0.670215 0.294528
H -2.329430 2.970238 -2.747874
H -1.003716 3.918609 1.279319
H -2.076533 4.643941 -0.884569
H 5.853314 -0.416220 -0.428411
H 6.072170 0.879838 0.802191
H 6.484269 1.181586 -0.921495
H 4.436321 2.965933 0.575644
H 3.258791 2.909951 -0.782699
H 5.000064 3.071899 -1.131734


