%chk=000229099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229099

0 1
N -0.433711 1.443382 0.084123
N 0.732606 -0.736085 0.464456
C -0.783489 -0.487698 -1.417795
C -1.879745 -1.475373 -0.963736
C -0.045091 0.057318 -0.187075
C 0.192528 -1.179058 -2.392179
C -3.038102 -0.763410 -0.254629
C -4.111323 -1.759651 0.204984
C 1.140428 -0.194208 -3.070342
C -0.617418 1.809407 1.521316
C 0.300073 2.453483 -0.726247
C 1.536713 -0.386314 1.644322
C 2.834673 -1.216930 1.617419
C -5.272026 -1.056210 0.905691
C -1.736917 2.846616 1.643252
C 1.792580 2.586646 -0.413611
C 3.844312 -0.683505 0.592827
C 5.144171 -1.484840 0.611397
H -1.275546 0.365415 -1.950978
H -1.435734 -2.242565 -0.297545
H -2.264125 -2.026276 -1.843458
H -0.385689 -1.726583 -3.161591
H 0.778317 -1.948727 -1.846053
H -3.485561 -0.006586 -0.926961
H -2.655147 -0.191432 0.613681
H -3.661418 -2.507810 0.886798
H -4.491302 -2.332269 -0.663346
H 0.313414 2.202614 1.984767
H -0.906419 0.896529 2.089499
H -0.206574 3.434142 -0.581193
H 0.162627 2.184645 -1.798943
H 0.598449 0.560549 -3.649965
H 1.763334 0.330302 -2.335201
H 1.817655 -0.713146 -3.758363
H 0.954000 -0.651217 2.557445
H 1.784984 0.694728 1.721532
H 3.282074 -1.221928 2.628464
H 2.589560 -2.273392 1.381819
H -6.031608 -1.774772 1.232230
H -4.933886 -0.508523 1.792530
H -5.764084 -0.334764 0.243702
H -1.452370 3.809350 1.204906
H -2.000022 3.018544 2.691620
H -2.641638 2.511281 1.117864
H 1.966833 2.936806 0.609270
H 2.317387 1.629378 -0.527759
H 2.271884 3.304047 -1.088572
H 3.391911 -0.725664 -0.419498
H 4.059888 0.383734 0.790524
H 4.966559 -2.541725 0.380004
H 5.855345 -1.103170 -0.129212
H 5.633040 -1.441884 1.590811


%chk=000229099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229099

0 1
N -0.113548 1.504750 0.140272
N 0.710891 -0.762480 0.559572
C -0.612363 -0.417979 -1.442629
C -1.752205 -1.397569 -1.029685
C 0.076552 0.125966 -0.169653
C 0.395267 -1.134272 -2.380609
C -2.867512 -0.761390 -0.172554
C -4.018968 -1.744286 0.140108
C 1.463797 -0.202533 -2.989804
C -0.376453 1.949623 1.529005
C -0.050260 2.553776 -0.901331
C 1.556661 -0.419363 1.718942
C 2.771407 -1.374469 1.772308
C -5.124682 -1.119713 1.018119
C -1.677227 2.774095 1.665111
C 1.109992 3.552501 -0.678234
C 3.743543 -1.185878 0.587895
C 4.950879 -2.146058 0.645449
H -1.084113 0.422707 -1.990103
H -1.290497 -2.236454 -0.473809
H -2.200708 -1.817168 -1.954748
H -0.168634 -1.631071 -3.196084
H 0.889292 -1.928781 -1.789565
H -3.278510 0.130081 -0.693313
H -2.435214 -0.397618 0.781745
H -3.602577 -2.638747 0.646701
H -4.460238 -2.104471 -0.812039
H 0.472640 2.536748 1.939707
H -0.469879 1.046033 2.152279
H -1.007909 3.111082 -0.959437
H 0.095322 2.063417 -1.876580
H 1.004787 0.589251 -3.614046
H 2.060140 0.287341 -2.196863
H 2.164490 -0.767320 -3.632169
H 0.981901 -0.540379 2.662841
H 1.920441 0.634771 1.689363
H 3.313192 -1.212904 2.727830
H 2.395748 -2.416523 1.778129
H -5.936044 -1.841893 1.225013
H -4.715705 -0.783874 1.990101
H -5.575063 -0.238661 0.522200
H -1.617488 3.744384 1.139861
H -1.868287 2.987546 2.733195
H -2.539258 2.213523 1.261856
H 0.992184 4.113633 0.266331
H 2.078699 3.022155 -0.646067
H 1.141407 4.287889 -1.503626
H 3.182308 -1.339737 -0.353997
H 4.103894 -0.135512 0.575643
H 4.616049 -3.200602 0.629446
H 5.632473 -1.994936 -0.212218
H 5.535785 -1.995431 1.573141


