%chk=000249979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249979

0 1
O 0.148689 0.717420 -1.674068
N 2.680596 -0.596957 -1.587005
C -0.286474 0.370792 -0.352476
C 0.812849 0.760314 0.643677
C 2.064529 0.112519 0.701754
C -1.582668 1.171057 -0.178082
C -0.629048 -1.120398 -0.310577
C 2.462148 -1.056902 -0.174083
C 0.578865 1.840578 1.511378
C 3.028514 0.544951 1.630809
C -2.487110 0.869244 0.850540
C -0.965382 -1.771395 -1.505546
C -1.870569 2.218308 -1.065163
C -0.644244 -1.833505 0.896737
C 1.539892 2.262324 2.431454
C 2.772317 1.608571 2.495074
C -3.664970 1.608615 0.987937
C -1.306480 -3.126140 -1.494755
C -3.050507 2.954034 -0.926222
C -0.988421 -3.188040 0.904329
C 2.757462 -1.770044 -2.508459
C 3.903911 0.249682 -1.702951
C -3.949489 2.651727 0.100831
C -1.318574 -3.836656 -0.290114
H 1.654627 -1.827237 -0.174866
H 3.353737 -1.572523 0.248374
H -0.371678 2.379559 1.472589
H 3.994087 0.042970 1.676749
H -2.280957 0.056446 1.545238
H -0.961650 -1.202025 -2.439223
H -1.165533 2.446945 -1.870362
H -0.381736 -1.334719 1.829598
H 1.085321 0.370465 -1.853002
H 1.328114 3.100225 3.092854
H 3.528195 1.928477 3.209669
H -4.363950 1.368013 1.786365
H -1.571071 -3.626011 -2.424593
H -3.268332 3.762590 -1.621216
H -1.002049 -3.737999 1.843321
H 2.870335 -1.408223 -3.543457
H 1.804813 -2.326178 -2.462765
H 3.579147 -2.469386 -2.297987
H 3.982032 0.629404 -2.734352
H 4.843488 -0.261213 -1.449400
H 3.797994 1.127386 -1.041244
H -4.868216 3.223936 0.208542
H -1.589053 -4.890301 -0.281250


%chk=000249979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249979

0 1
O 0.281794 0.570711 -1.705352
N 2.641699 -0.545424 -1.670439
C -0.252050 0.294638 -0.367019
C 0.817655 0.701202 0.697704
C 2.126168 0.104576 0.721677
C -1.540060 1.150682 -0.250153
C -0.631795 -1.207113 -0.242593
C 2.571353 -0.996917 -0.236759
C 0.530086 1.708705 1.651255
C 3.064657 0.535486 1.692072
C -2.580675 0.829312 0.656608
C -1.067885 -1.896551 -1.402220
C -1.671528 2.308027 -1.056212
C -0.604539 -1.900478 0.993339
C 1.477890 2.129009 2.610895
C 2.757051 1.538046 2.637645
C -3.727241 1.649769 0.758611
C -1.457391 -3.252028 -1.330234
C -2.817789 3.128053 -0.957413
C -0.989707 -3.259569 1.067239
C 2.775791 -1.700356 -2.595920
C 3.693886 0.479500 -1.893544
C -3.850866 2.804972 -0.047130
C -1.417665 -3.941574 -0.094542
H 1.859083 -1.840668 -0.209775
H 3.563197 -1.385222 0.085829
H -0.459057 2.174307 1.645113
H 4.058693 0.070782 1.703844
H -2.507999 -0.070844 1.276120
H -1.089319 -1.348536 -2.350096
H -0.871639 2.530931 -1.766868
H -0.265921 -1.382566 1.898578
H 1.235215 0.125543 -1.791975
H 1.212233 2.911452 3.330541
H 3.503703 1.849091 3.376531
H -4.524465 1.382359 1.461892
H -1.795747 -3.770400 -2.235188
H -2.905381 4.017437 -1.592515
H -0.955972 -3.782812 2.030025
H 2.777739 -1.336358 -3.637780
H 1.912511 -2.375360 -2.464061
H 3.712103 -2.275996 -2.420697
H 3.643180 0.832982 -2.937668
H 4.714417 0.079047 -1.699536
H 3.517856 1.338112 -1.225567
H -4.741913 3.438959 0.028744
H -1.717856 -4.994217 -0.038405


