%chk=000206313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206313

0 1
O 1.130539 0.374014 -2.436824
N -3.078572 1.880630 0.212591
C 0.181581 0.146612 -0.162072
C -0.972470 0.705895 0.716294
C 0.193527 0.946008 -1.515181
C -2.377837 0.556756 0.080907
C -0.072276 -1.349051 -0.357671
C 1.540904 0.329605 0.513690
C 0.476101 2.445520 -1.337014
C -3.142867 -0.637127 0.667464
C -0.030819 -2.186688 0.774438
C 2.617955 -0.487142 0.124832
C -0.359543 -1.916936 -1.604926
C 1.760627 1.315349 1.487040
C 0.347514 3.189358 -2.662312
C -3.553951 2.166793 1.597893
C -4.211623 1.996523 -0.753438
C -0.291723 -3.551928 0.659869
C 3.878714 -0.325632 0.701699
C -0.622618 -3.287094 -1.717444
C 3.023719 1.474682 2.065543
C -0.595092 -4.107581 -0.588527
C 4.086646 0.656092 1.676106
H -0.948567 0.215921 1.707061
H -0.778210 1.784894 0.912368
H -0.778393 0.786929 -2.046372
H -2.254570 0.376986 -1.024827
H 1.487288 2.599767 -0.913422
H -0.236221 2.870643 -0.596767
H -2.623281 -1.578903 0.442802
H -4.150271 -0.714649 0.247073
H -3.241720 -0.577471 1.755252
H 0.215444 -1.766052 1.748866
H 2.464935 -1.264415 -0.627633
H -0.354757 -1.304540 -2.509767
H 0.949303 1.972184 1.800474
H 2.052393 0.538212 -2.150729
H -0.693182 3.226475 -3.004592
H 0.703584 4.221147 -2.575785
H 0.932095 2.695392 -3.450822
H -2.728425 2.028914 2.311937
H -4.400621 1.548739 1.931467
H -3.858467 3.224933 1.649689
H -5.025023 1.272112 -0.601129
H -3.825869 1.876027 -1.778218
H -4.636788 3.010847 -0.686523
H -0.255990 -4.187119 1.542850
H 4.701556 -0.968857 0.393118
H -0.844745 -3.712160 -2.694851
H 3.177199 2.242118 2.822533
H -0.800890 -5.171423 -0.677674
H 5.068457 0.780293 2.127162


%chk=000206313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206313

0 1
O 1.061043 0.725614 -2.336068
N -2.927053 1.332302 -0.356535
C 0.172984 0.127268 -0.034488
C -0.960174 0.486063 1.002261
C 0.124509 1.127980 -1.262745
C -2.427110 0.247009 0.548396
C -0.078345 -1.341339 -0.475023
C 1.577713 0.240908 0.612962
C 0.371867 2.614235 -0.919054
C -3.333614 -0.010696 1.787337
C 0.081388 -2.373336 0.490686
C 2.675872 -0.454382 0.030153
C -0.526803 -1.710313 -1.768605
C 1.847463 1.081916 1.724745
C 0.039708 3.531248 -2.115145
C -3.253453 2.611582 0.303381
C -4.016005 0.889505 -1.251219
C -0.205496 -3.720083 0.184586
C 3.987484 -0.308437 0.533422
C -0.813935 -3.060202 -2.080842
C 3.157211 1.222385 2.237310
C -0.660239 -4.072267 -1.107847
C 4.237108 0.533839 1.640856
H -0.786565 -0.135961 1.901242
H -0.859973 1.534925 1.335813
H -0.874797 1.044473 -1.720144
H -2.442119 -0.673481 -0.064851
H 1.430272 2.750789 -0.617446
H -0.244441 2.914887 -0.052744
H -3.043261 -0.956321 2.280154
H -4.396930 -0.097543 1.495563
H -3.247798 0.800346 2.534664
H 0.450044 -2.118906 1.492106
H 2.488721 -1.148235 -0.796727
H -0.620687 -0.953213 -2.549962
H 1.034842 1.632947 2.207866
H 1.986043 0.810560 -1.983834
H -1.040951 3.489660 -2.347513
H 0.304180 4.583071 -1.900440
H 0.592152 3.208001 -3.014835
H -2.417207 2.944216 0.942807
H -4.172434 2.570321 0.938112
H -3.413919 3.388245 -0.467357
H -4.978249 0.668969 -0.724028
H -3.706323 -0.022533 -1.792023
H -4.221551 1.677620 -1.999477
H -0.070934 -4.492735 0.950490
H 4.811389 -0.859806 0.065661
H -1.150454 -3.319334 -3.091529
H 3.332910 1.872732 3.102137
H -0.882098 -5.117221 -1.352757
H 5.252712 0.644331 2.037028


