%chk=000227911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227911

0 1
O 0.792943 -1.796510 1.593215
N 1.183913 0.030821 0.300929
C 0.709639 1.126488 -0.578357
C 2.618786 0.047806 0.696313
C 0.264935 2.350997 0.240781
C 3.498980 -0.576992 -0.398745
C -0.172597 3.498087 -0.678560
C 4.979993 -0.532382 -0.001517
C 0.346222 -0.958768 0.822842
C -1.088532 -0.940086 0.388698
C -0.613356 4.721414 0.121626
C 5.869309 -1.146371 -1.080190
C -1.471174 -1.600313 -0.785699
C -2.049968 -0.316729 1.192976
C -3.784142 -0.989194 -0.368577
C -2.814152 -1.622173 -1.164233
C -3.393161 -0.338184 0.813112
C -5.223373 -1.026720 -0.766129
H 1.528265 1.406822 -1.278654
H -0.131590 0.762905 -1.210933
H 2.929868 1.092593 0.907444
H 2.732316 -0.528445 1.648270
H 1.085512 2.685970 0.903730
H -0.565364 2.069343 0.917647
H 3.347095 -0.056560 -1.362451
H 3.184718 -1.626140 -0.571989
H -1.002360 3.162400 -1.332081
H 0.656618 3.777018 -1.358238
H 5.128333 -1.073384 0.954839
H 5.291540 0.513208 0.188686
H 0.195347 5.104315 0.754748
H -0.924526 5.536964 -0.541130
H -1.460907 4.491462 0.777731
H 5.777256 -0.614151 -2.033442
H 6.924826 -1.116209 -0.787019
H 5.611501 -2.196073 -1.264715
H -0.721819 -2.102424 -1.397991
H -1.751210 0.175615 2.118791
H -3.110122 -2.138760 -2.075011
H -4.139103 0.145113 1.440821
H -5.356540 -1.071423 -1.855292
H -5.717557 -1.915444 -0.343609
H -5.779961 -0.149306 -0.410637


%chk=000227911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227911

0 1
O 0.806100 -1.408541 1.703480
N 1.118711 0.293856 0.147493
C 0.600270 1.427867 -0.653612
C 2.562626 0.317862 0.496440
C 0.403435 2.720955 0.175645
C 3.386582 -0.675931 -0.353552
C -0.039206 3.911903 -0.704821
C 4.886254 -0.657621 0.018974
C 0.328215 -0.660807 0.784618
C -1.108689 -0.832069 0.352226
C -0.248239 5.207512 0.108244
C 5.720452 -1.640597 -0.830475
C -1.475462 -1.050077 -1.000592
C -2.111717 -0.915286 1.349771
C -3.831270 -1.377816 -0.354389
C -2.816785 -1.322558 -1.344823
C -3.453680 -1.167642 0.998078
C -5.270028 -1.693205 -0.724803
H 1.311033 1.621476 -1.481964
H -0.362473 1.147425 -1.108338
H 2.937824 1.347706 0.348849
H 2.668057 0.057868 1.565388
H 1.345057 2.979769 0.700490
H -0.356038 2.531493 0.959975
H 3.266569 -0.434092 -1.429640
H 2.976896 -1.692251 -0.199834
H -0.979391 3.649312 -1.231405
H 0.721435 4.087891 -1.493322
H 4.995901 -0.910986 1.092767
H 5.287039 0.370093 -0.103398
H 0.685660 5.511587 0.617336
H -0.567884 6.044049 -0.539729
H -1.022499 5.066655 0.885456
H 5.656539 -1.389641 -1.906249
H 6.787305 -1.620982 -0.541323
H 5.354800 -2.676920 -0.705702
H -0.705910 -1.038814 -1.781822
H -1.823697 -0.794481 2.399419
H -3.078964 -1.501232 -2.394852
H -4.218569 -1.214176 1.782884
H -5.512794 -1.344933 -1.744183
H -5.455619 -2.784758 -0.697648
H -5.981445 -1.223262 -0.023058


