%chk=000206512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206512

0 1
O 0.687611 3.522584 -1.372960
O 3.263905 2.333689 -1.404808
N -1.252922 1.571186 0.634421
N 2.692836 -0.762803 0.343593
N 1.249955 1.328997 -0.843449
C -2.456608 0.700752 0.882307
C -2.294447 -0.596352 0.084234
C -2.446661 0.347100 2.383674
C -3.762214 1.447184 0.542384
C -1.119123 2.057433 -0.764708
C -3.387569 -1.232525 -0.519360
C -1.025122 -1.189974 -0.013570
C 3.403953 0.065390 -0.673482
C 0.353142 2.418161 -1.019503
C 3.211594 -2.171902 0.358600
C 2.778642 -0.137795 1.709517
C -3.210642 -2.428052 -1.224500
C -0.849101 -2.377054 -0.724768
C 2.660920 1.367151 -0.999563
C -1.941301 -3.001631 -1.334427
C 2.773225 -2.921782 -0.898003
C 1.540764 -0.538982 2.511436
H -1.256050 2.374054 1.274862
H -2.651922 1.216238 3.015942
H -1.475568 -0.063758 2.690347
H -3.204763 -0.412006 2.608853
H -3.809054 2.422942 1.037690
H -3.868935 1.620189 -0.533801
H -4.644185 0.886078 0.872041
H -1.436800 1.272009 -1.489846
H -1.735496 2.957266 -0.990126
H -4.387849 -0.809511 -0.445552
H -0.157348 -0.717080 0.475101
H 3.484233 -0.513403 -1.626258
H 4.447958 0.333970 -0.390764
H 4.317428 -2.219092 0.465631
H 2.782479 -2.678016 1.253928
H 3.704831 -0.417628 2.254893
H 2.803087 0.970854 1.609620
H -4.067973 -2.911523 -1.689820
H 0.154670 -2.813205 -0.804186
H 0.846556 0.453066 -0.442870
H -1.804804 -3.927729 -1.888323
H 3.071059 -3.974666 -0.850468
H 3.205649 -2.493936 -1.810048
H 1.674051 -2.887281 -1.015145
H 1.467312 0.041315 3.436848
H 0.620122 -0.354628 1.925612
H 1.544473 -1.601198 2.776978


%chk=000206512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206512

0 1
O 0.516016 3.245469 -2.051245
O 3.284675 2.182553 -1.913511
N -1.057822 1.133266 0.494203
N 2.780293 -0.470973 0.583754
N 1.325711 1.366410 -0.856818
C -2.304252 0.354372 0.825831
C -2.475820 -0.772761 -0.219701
C -2.062254 -0.291224 2.219017
C -3.546447 1.285549 0.914007
C -1.075346 1.912028 -0.762118
C -3.727791 -1.092685 -0.801274
C -1.347220 -1.556379 -0.580932
C 3.432931 0.119715 -0.609705
C 0.333056 2.266115 -1.287369
C 3.155071 -1.903380 0.790738
C 3.051845 0.365358 1.796722
C -3.850304 -2.163606 -1.718049
C -1.464721 -2.622813 -1.496132
C 2.691712 1.345817 -1.189507
C -2.720450 -2.933680 -2.069788
C 2.541512 -2.861641 -0.246073
C 2.077615 0.095468 2.956754
H -0.793661 1.723696 1.297016
H -1.931815 0.487866 2.995914
H -1.159347 -0.924972 2.200181
H -2.921874 -0.920771 2.506114
H -3.344564 2.103865 1.630214
H -3.791427 1.737819 -0.063479
H -4.438629 0.743550 1.275198
H -1.557135 1.291739 -1.543283
H -1.636866 2.868386 -0.717650
H -4.618711 -0.508389 -0.550835
H -0.372574 -1.306299 -0.146527
H 3.463382 -0.632841 -1.418981
H 4.484338 0.438525 -0.427571
H 4.267090 -2.021926 0.803365
H 2.795482 -2.197695 1.792126
H 4.106763 0.229954 2.140871
H 2.955487 1.424373 1.491974
H -4.827574 -2.391473 -2.158677
H -0.579408 -3.210470 -1.766477
H 1.011718 0.620887 -0.206438
H -2.814274 -3.760418 -2.782731
H 2.829787 -3.902652 -0.011028
H 2.884775 -2.650498 -1.274853
H 1.440110 -2.795187 -0.229317
H 2.257806 0.815133 3.776161
H 1.035552 0.207861 2.609351
H 2.191556 -0.918941 3.378763


