%chk=000298969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298969

0 1
O -5.726871 1.113431 0.050565
N -2.963703 0.384415 0.126801
N -0.769489 -3.785730 -0.371193
C 0.403973 -1.507721 0.032084
C -0.905434 -0.881051 0.581446
C 1.209991 -2.117194 1.210574
C 1.256507 -0.444909 -0.673976
C -0.004175 -2.656703 -0.953280
C -1.646511 -0.027333 -0.461395
C 2.545620 -2.738276 0.781307
C 1.698621 0.756882 0.003606
C -3.394726 1.722170 -0.397977
C -4.025901 -0.636105 -0.158419
C 1.631446 -0.625463 -1.989138
C 2.486267 1.705398 -0.706631
C -4.714299 2.113485 0.286443
C -5.329091 -0.190112 0.523188
C 3.290301 -3.342658 1.969284
C 2.418776 0.327279 -2.694533
C 1.393547 1.061053 1.369760
C 2.838527 1.471397 -2.073322
C 2.935059 2.901523 -0.058627
C 1.832237 2.211066 1.975791
C 2.617381 3.151200 1.251417
H -0.695197 -0.250444 1.472828
H -1.573880 -1.676513 0.964479
H 1.405148 -1.335274 1.973976
H 0.595790 -2.873828 1.733436
H -1.748687 -0.582014 -1.419276
H -1.037215 0.875560 -0.691315
H 0.907481 -3.084253 -1.429971
H -0.623190 -2.228666 -1.775720
H 3.178329 -1.966124 0.296934
H 2.377805 -3.516086 0.010488
H -2.607898 2.465701 -0.147233
H -3.525278 1.734531 -1.501239
H -4.203444 -0.784268 -1.245824
H -3.696465 -1.611805 0.255860
H 1.344696 -1.515796 -2.550134
H -0.209271 -4.283231 0.316507
H -1.597880 -3.447026 0.112727
H -4.586419 2.243419 1.375581
H -5.164989 3.016674 -0.159831
H -6.188944 -0.819179 0.235035
H -5.225946 -0.156574 1.622005
H 3.515667 -2.587938 2.731712
H 2.711157 -4.136678 2.453063
H 4.244817 -3.780039 1.653831
H 2.676601 0.122652 -3.732917
H 0.786785 0.349510 1.942993
H 3.440523 2.211379 -2.597043
H 3.535790 3.607202 -0.630960
H 1.586920 2.421503 3.015406
H 2.954740 4.056961 1.751725


%chk=000298969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298969

0 1
O -5.850092 1.081497 0.092607
N -3.008347 0.436956 0.118522
N -0.664165 -3.812467 -0.550843
C 0.419690 -1.499494 -0.017945
C -0.946661 -0.946459 0.524718
C 1.194249 -2.166190 1.175475
C 1.283089 -0.386550 -0.686460
C 0.073066 -2.652425 -1.059409
C -1.704576 -0.009109 -0.438165
C 2.501200 -2.907967 0.806902
C 1.745971 0.806287 0.022925
C -3.526741 1.643492 -0.580335
C -4.044475 -0.627842 0.116614
C 1.654826 -0.511371 -2.037656
C 2.578528 1.776743 -0.677944
C -4.816717 2.131867 0.096553
C -5.334262 -0.114471 0.778249
C 3.272476 -3.371783 2.062148
C 2.463685 0.446119 -2.721090
C 1.428266 1.115107 1.393967
C 2.926989 1.572476 -2.051903
C 3.049908 2.950925 -0.000430
C 1.895903 2.268948 2.027570
C 2.722204 3.201092 1.330784
H -0.819936 -0.405253 1.477672
H -1.568771 -1.830256 0.772643
H 1.446438 -1.401755 1.931371
H 0.499545 -2.871335 1.678485
H -1.837240 -0.497103 -1.438023
H -1.092255 0.895698 -0.606483
H 1.011421 -3.034634 -1.498142
H -0.515707 -2.223956 -1.891865
H 3.145773 -2.240381 0.202561
H 2.284444 -3.789840 0.171123
H -2.760690 2.440228 -0.531185
H -3.739927 1.434742 -1.659774
H -4.276164 -0.966201 -0.926646
H -3.677815 -1.502280 0.685231
H 1.324704 -1.373771 -2.619426
H -0.167467 -4.414157 0.107991
H -1.648257 -3.672313 -0.319305
H -4.594789 2.433313 1.143106
H -5.258250 2.981622 -0.450085
H -6.141180 -0.863158 0.711243
H -5.131199 0.124140 1.844802
H 3.568043 -2.507013 2.685468
H 2.651875 -4.040168 2.689565
H 4.192134 -3.921944 1.790682
H 2.714933 0.279288 -3.774372
H 0.792275 0.443921 1.969711
H 3.553960 2.315580 -2.558702
H 3.676918 3.655542 -0.560349
H 1.622008 2.460361 3.071140
H 3.086761 4.101098 1.837605


