%chk=000203453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203453

0 1
O 0.976333 -2.425743 1.893609
N 3.669744 -0.927998 0.014167
N 1.264764 -0.250576 1.265905
C -4.701471 0.454916 -1.269416
C 2.704665 -2.036463 0.278268
C -3.451471 0.388546 -0.412006
C 4.380478 -1.122654 -1.293524
C 4.636613 -0.791595 1.157365
C -1.137966 0.298952 1.182168
C 0.100514 0.231134 2.044588
C 1.578479 -1.599484 1.218030
C -2.793086 1.571909 -0.048563
C -2.939069 -0.843018 0.027976
C -1.641261 1.528618 0.742728
C -1.791813 -0.888774 0.818708
C -4.480920 -0.276586 -2.599767
C -5.904782 -0.117543 -0.509445
C 3.428268 -0.848209 -2.457518
C 5.306019 0.581883 1.112559
H -4.924460 1.528856 -1.503053
H 3.170713 -2.953927 0.704720
H 2.223294 -2.357695 -0.676745
H 5.224393 -0.396061 -1.333531
H 4.828653 -2.134780 -1.393064
H 4.065015 -0.886637 2.109246
H 5.404946 -1.594310 1.168808
H 0.351087 1.222448 2.482257
H -0.075844 -0.464695 2.905516
H -3.176718 2.534324 -0.381595
H -3.441356 -1.768628 -0.248166
H -1.141502 2.455834 1.015018
H -1.390950 -1.848208 1.159249
H -3.606090 0.119209 -3.128039
H -5.347963 -0.167432 -3.259532
H -4.314326 -1.349451 -2.452846
H -5.782691 -1.185208 -0.295752
H -6.828506 -0.002419 -1.085898
H -6.044030 0.391585 0.451249
H 1.724903 0.413850 0.645435
H 2.632496 -1.599149 -2.527215
H 2.937703 0.127998 -2.344100
H 3.966272 -0.843372 -3.411399
H 5.973058 0.688424 0.249391
H 4.558206 1.382880 1.041070
H 5.898159 0.757050 2.017343


%chk=000203453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203453

0 1
O 1.462731 -2.677088 2.646358
N 3.603840 -1.050951 0.100549
N 1.315264 -0.647793 1.478899
C -4.574476 0.725265 -1.291952
C 3.055619 -2.228409 0.820939
C -3.349769 0.508401 -0.398317
C 4.083917 -1.365959 -1.275945
C 4.614027 -0.326680 0.930425
C -1.059213 0.107921 1.284403
C 0.145913 -0.117655 2.192789
C 1.874864 -1.873752 1.751963
C -2.817302 1.567696 0.375872
C -2.712267 -0.759672 -0.315394
C -1.687792 1.372199 1.205135
C -1.587743 -0.957397 0.509745
C -4.240222 0.487631 -2.788977
C -5.769291 -0.160175 -0.846946
C 2.933131 -1.599884 -2.272058
C 4.803871 1.143773 0.514827
H -4.883210 1.784799 -1.181921
H 3.814647 -2.758808 1.437321
H 2.672368 -2.965303 0.091627
H 4.682083 -0.505487 -1.624980
H 4.769834 -2.248458 -1.270389
H 4.256348 -0.354869 1.976583
H 5.597289 -0.857728 0.914538
H 0.411796 0.830509 2.699820
H -0.087920 -0.863606 2.976916
H -3.290861 2.556534 0.329228
H -3.103205 -1.602525 -0.898537
H -1.295115 2.210430 1.795144
H -1.113295 -1.944543 0.565054
H -3.409963 1.136878 -3.120670
H -5.121618 0.698462 -3.423102
H -3.940035 -0.561932 -2.966995
H -5.526836 -1.234406 -0.949198
H -6.659942 0.045446 -1.469734
H -6.032903 0.026731 0.209522
H 1.769918 -0.137331 0.706782
H 2.303462 -2.462393 -1.987090
H 2.283560 -0.708698 -2.324224
H 3.336063 -1.802652 -3.281566
H 5.193825 1.243147 -0.513940
H 3.843489 1.686767 0.569704
H 5.523619 1.639365 1.191990


