%chk=000237388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237388

0 1
N -0.121020 0.645362 -1.004900
C 1.144086 -0.074925 -0.676757
C -1.361204 0.071238 -0.406060
C 3.539726 -0.404343 -1.541853
C -2.888427 -0.112131 1.652327
C 2.179837 0.303356 -1.756884
C -1.564054 0.447573 1.079078
C 1.698049 0.251782 0.729032
C -2.553442 0.574237 -1.248536
C 3.018638 -0.499434 0.976105
C -3.872312 -0.022211 -0.723890
C 4.053921 -0.134923 -0.104939
C -4.074661 0.334388 0.761431
C 3.406660 -1.918148 -1.792095
C 4.559085 0.173338 -2.547447
C -2.829799 -1.648301 1.744937
C -3.093259 0.459449 3.072161
C 3.565848 -0.182299 2.373716
C -5.056554 0.475993 -1.561796
H 0.940068 -1.175684 -0.740005
H -1.301326 -1.045043 -0.493497
H 1.772085 0.053297 -2.754791
H 2.329591 1.398532 -1.766622
H -0.706001 0.077565 1.677335
H -1.556053 1.547043 1.189149
H 0.949961 -0.021712 1.501563
H 1.857557 1.339585 0.834510
H -2.398217 0.298263 -2.308798
H -2.598357 1.678010 -1.233506
H 2.818150 -1.598563 0.920325
H -3.821578 -1.135647 -0.818418
H 4.325411 0.932866 -0.009440
H 4.987898 -0.698514 0.068047
H -4.214523 1.426972 0.860638
H -5.010303 -0.122336 1.129964
H -0.041044 1.644537 -0.805173
H 3.043434 -2.124044 -2.803984
H 2.702710 -2.381324 -1.092784
H 4.367236 -2.428919 -1.676536
H 5.540963 -0.296398 -2.435215
H 4.693567 1.251072 -2.415461
H 4.235404 0.008743 -3.580198
H -3.751253 -2.057786 2.170248
H -2.695481 -2.105426 0.758543
H -2.000366 -1.980586 2.376189
H -2.276897 0.169958 3.740800
H -3.140958 1.552471 3.066708
H -4.023623 0.093947 3.518019
H 2.850999 -0.461168 3.154680
H 4.495004 -0.727764 2.570093
H 3.782272 0.884583 2.493591
H -6.000080 0.039888 -1.217806
H -5.160988 1.565062 -1.511884
H -4.936482 0.208221 -2.617115


%chk=000237388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237388

0 1
N -0.080224 0.769408 -0.779412
C 1.186031 0.060640 -0.461522
C -1.370655 0.158460 -0.383856
C 3.487607 -0.639725 -1.491430
C -3.028614 -0.452411 1.549949
C 2.119191 0.074885 -1.700005
C -1.649853 0.157746 1.148823
C 1.939487 0.643530 0.767543
C -2.525058 0.868834 -1.127250
C 3.284154 -0.075481 1.047441
C -3.910077 0.256315 -0.802899
C 4.174422 -0.055584 -0.220119
C -4.150808 0.250699 0.727908
C 3.289757 -2.174663 -1.352981
C 4.391224 -0.373532 -2.722899
C -3.040758 -1.986048 1.301570
C -3.274400 -0.200513 3.060291
C 4.015469 0.556612 2.252574
C -5.040037 1.006654 -1.541444
H 0.912920 -0.990713 -0.234310
H -1.336121 -0.892832 -0.736594
H 1.577826 -0.378115 -2.552857
H 2.303940 1.135917 -1.972016
H -0.841873 -0.389385 1.675752
H -1.609233 1.212015 1.500757
H 1.290221 0.600222 1.664145
H 2.148127 1.719509 0.571865
H -2.324867 0.828269 -2.214643
H -2.531749 1.944294 -0.839623
H 3.058475 -1.132997 1.303417
H -3.909190 -0.794988 -1.162339
H 4.458239 0.999407 -0.426623
H 5.118083 -0.605405 -0.023337
H -4.229510 1.305683 1.069866
H -5.126186 -0.228407 0.952361
H -0.037507 1.774345 -0.561852
H 2.815409 -2.587598 -2.263526
H 2.651023 -2.444197 -0.493040
H 4.264407 -2.681774 -1.218056
H 5.374593 -0.870100 -2.610837
H 4.570836 0.710383 -2.856940
H 3.921724 -0.755813 -3.649416
H -4.012053 -2.420517 1.606371
H -2.876832 -2.245956 0.240662
H -2.248174 -2.482131 1.893939
H -2.489397 -0.679259 3.676721
H -3.271152 0.882755 3.287674
H -4.252000 -0.611331 3.378587
H 3.390334 0.525577 3.165009
H 4.962556 0.028185 2.471641
H 4.261374 1.617162 2.048823
H -6.027163 0.550162 -1.337974
H -5.084555 2.064694 -1.217187
H -4.879482 0.996817 -2.635902


