%chk=000202106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202106

0 1
O 2.346011 0.283001 -0.995381
O -4.100547 -1.062441 2.242627
N 5.810810 -0.334804 -0.029842
N -3.116854 -2.259697 0.601055
C -3.166558 0.240369 0.389146
C -4.099176 0.277612 -0.845972
C -3.456627 1.442095 1.325480
C -1.691568 0.232718 0.019931
C -3.507304 -1.054847 1.175875
C -0.747624 -0.137387 0.992095
C -1.235246 0.630414 -1.249588
C -5.547209 0.040083 -0.527031
C -3.180889 2.766873 0.682123
C 4.676758 0.150812 -0.874345
C 1.044747 0.241864 -0.564918
C 0.620199 -0.143898 0.713888
C 0.120997 0.634292 -1.555309
C 3.402265 -0.075715 -0.046563
C 6.973434 0.612321 -0.046094
C 6.218842 -1.726403 -0.419895
C -6.447815 -0.279365 -1.454338
C -4.044694 3.780115 0.685843
C 6.632867 1.875299 0.745485
C 6.985403 -2.384538 0.727933
H -4.010882 1.276701 -1.331663
H -3.753152 -0.457295 -1.601427
H -4.506656 1.372732 1.686936
H -2.843584 1.351652 2.249310
H -1.080037 -0.428717 1.991701
H -1.941851 0.952160 -2.015839
H -5.826108 0.158632 0.524654
H -2.195343 2.854204 0.217895
H 4.586734 -0.361705 -1.856126
H 4.772719 1.232650 -1.112965
H 1.326250 -0.438391 1.483715
H 0.484239 0.937644 -2.534438
H 3.346286 0.590686 0.829163
H 3.266829 -1.126651 0.255032
H 7.298098 0.878195 -1.075126
H 7.837160 0.101317 0.438122
H 6.826028 -1.751388 -1.350585
H 5.297558 -2.316479 -0.625679
H -3.340186 -3.129419 1.058509
H -2.605326 -2.316757 -0.260369
H 7.517355 2.507412 0.875511
H 6.251687 1.620608 1.743919
H 5.860650 2.477148 0.253278
H 7.144921 -3.450130 0.533947
H 6.432519 -2.291968 1.672993
H 7.965791 -1.921238 0.887623
H -6.221886 -0.406625 -2.501861
H -7.492406 -0.438032 -1.228174
H -5.027003 3.733411 1.132801
H -3.831127 4.740869 0.241537


%chk=000202106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202106

0 1
O 2.380518 0.331744 -1.174498
O -4.352545 -1.267770 1.997862
N 5.884670 -0.276460 -0.035029
N -3.149572 -2.277607 0.298722
C -3.221351 0.211979 0.345843
C -4.180049 0.441693 -0.880419
C -3.457250 1.316502 1.437922
C -1.737128 0.215741 -0.082890
C -3.613405 -1.164247 0.975118
C -0.741790 -0.155297 0.859762
C -1.294088 0.618453 -1.371825
C -5.654589 0.294034 -0.573193
C -3.206255 2.724210 0.944754
C 4.775934 0.158268 -0.920351
C 1.047348 0.271995 -0.747759
C 0.633008 -0.132792 0.547451
C 0.074502 0.646327 -1.704988
C 3.432573 -0.019246 -0.200669
C 7.096546 0.579803 -0.136281
C 6.178055 -1.731135 -0.161037
C -6.506480 -0.497930 -1.270147
C -4.091460 3.748706 1.039471
C 6.920638 1.951136 0.542835
C 6.819520 -2.330533 1.104846
H -3.997007 1.473860 -1.244609
H -3.910784 -0.253649 -1.697990
H -4.478458 1.212548 1.840879
H -2.776683 1.098115 2.284964
H -1.045367 -0.476763 1.863849
H -2.016472 0.922082 -2.135308
H -6.047012 0.893267 0.260176
H -2.215290 2.914470 0.503896
H 4.752538 -0.401815 -1.883775
H 4.896971 1.225131 -1.176100
H 1.362030 -0.427006 1.308219
H 0.409355 0.959850 -2.698686
H 3.380362 0.648575 0.681085
H 3.298182 -1.067441 0.136795
H 7.408332 0.721931 -1.202184
H 7.925215 0.046187 0.363169
H 6.827203 -1.938289 -1.049512
H 5.220112 -2.251723 -0.350116
H -3.435851 -3.199796 0.625787
H -2.481121 -2.195687 -0.466266
H 7.851513 2.542963 0.462858
H 6.675629 1.818253 1.610950
H 6.110160 2.541562 0.077920
H 6.981094 -3.417253 0.977612
H 6.162663 -2.168418 1.977171
H 7.799798 -1.872472 1.328426
H -6.161362 -1.119595 -2.106407
H -7.571995 -0.553156 -1.021406
H -5.088400 3.608846 1.476883
H -3.843203 4.757844 0.690817


