%chk=000202910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202910

0 1
O 0.360074 0.300977 -1.929426
N -3.104826 0.958249 0.334123
C -0.633858 0.984393 0.095929
C 0.555296 0.169386 -0.504345
C -1.965255 0.466306 -0.499357
C 1.904576 0.769585 -0.114970
C 0.529633 -1.315820 -0.134825
C -0.474139 2.480560 -0.173310
C -4.423548 0.594039 -0.272446
C 2.478101 0.497538 1.134391
C -0.007712 -1.755232 1.083174
C 2.569421 1.622185 -1.008344
C 1.077632 -2.257753 -1.018304
C -5.555121 1.042202 0.667961
C 3.709796 1.062065 1.479336
C -0.002481 -3.114686 1.408403
C 3.801277 2.182762 -0.662548
C 1.081713 -3.616423 -0.693764
C 4.375141 1.902440 0.581720
C 0.541105 -4.048530 0.521395
C -6.924960 0.766386 0.055377
H -0.627040 0.820504 1.202727
H -2.074292 0.861389 -1.535370
H -1.943085 -0.640604 -0.596287
H 0.368849 2.909924 0.376888
H -0.313980 2.675577 -1.241495
H -1.384865 3.020058 0.124469
H -3.036794 0.557610 1.275778
H 1.035680 -0.208965 -2.425838
H -4.518288 -0.490047 -0.496813
H -4.508244 1.128765 -1.244866
H 1.972254 -0.158185 1.841849
H -0.436523 -1.037395 1.783445
H 2.109905 1.858295 -1.970226
H 1.501584 -1.928143 -1.967582
H -5.468509 0.530086 1.645365
H -5.445334 2.124952 0.884795
H 4.151074 0.844839 2.450494
H -0.423729 -3.446023 2.356325
H 4.312183 2.842403 -1.361717
H 1.508155 -4.338861 -1.388062
H 5.334629 2.339092 0.851175
H 0.544378 -5.106701 0.775336
H -7.073889 -0.300474 -0.145561
H -7.728874 1.089064 0.727007
H -7.058510 1.301413 -0.892310


%chk=000202910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202910

0 1
O 0.323127 0.214114 -2.035912
N -3.127320 0.912170 0.330937
C -0.654760 0.930810 0.038331
C 0.535566 0.112517 -0.565217
C -2.017945 0.460030 -0.540411
C 1.892082 0.750922 -0.180639
C 0.555035 -1.385361 -0.161725
C -0.505413 2.454451 -0.175310
C -4.482825 0.670424 -0.209040
C 2.436118 0.549506 1.114004
C -0.308125 -1.960018 0.803123
C 2.593534 1.571987 -1.095770
C 1.518578 -2.229105 -0.779124
C -5.567700 1.196138 0.751932
C 3.653139 1.160228 1.486667
C -0.231567 -3.335993 1.120586
C 3.818553 2.174817 -0.728386
C 1.594565 -3.603639 -0.473155
C 4.352618 1.974258 0.564646
C 0.712814 -4.166648 0.478964
C -6.997403 0.948775 0.225196
H -0.648918 0.744548 1.133995
H -2.150008 0.920373 -1.536082
H -2.018174 -0.641951 -0.707843
H 0.330215 2.879244 0.406635
H -0.332971 2.678319 -1.243058
H -1.443820 2.942692 0.140379
H -3.037041 0.527394 1.283905
H 0.886225 -0.464674 -2.487980
H -4.678398 -0.412037 -0.425981
H -4.562507 1.202750 -1.178069
H 1.913433 -0.098157 1.828079
H -1.046627 -1.341090 1.321966
H 2.162783 1.742062 -2.087563
H 2.249671 -1.801842 -1.479423
H -5.448720 0.704850 1.740820
H -5.397651 2.277235 0.915047
H 4.060296 0.994779 2.490819
H -0.911120 -3.757309 1.870160
H 4.350813 2.806664 -1.448901
H 2.347872 -4.230552 -0.963288
H 5.300614 2.443674 0.850872
H 0.769714 -5.233024 0.723717
H -7.190896 -0.131594 0.084761
H -7.756031 1.339495 0.927400
H -7.152827 1.446968 -0.750371


