%chk=000224548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224548

0 1
O 0.909124 -0.416115 1.885097
N 2.630520 0.019566 -0.290087
C 1.212759 -0.395292 -0.541472
C 0.369765 0.130367 0.663664
C -1.060444 -0.351012 0.606199
C -3.376149 -0.048009 0.030467
C -2.085427 0.494649 0.056341
C -3.708934 -1.351092 0.523539
C -4.521398 0.642773 -0.483746
C -5.188404 -1.569000 0.326912
C 2.898994 1.463834 -0.585522
C 3.612949 -0.882104 -0.976142
C -5.722611 -0.258070 -0.337932
C 0.627343 0.051956 -1.882145
C -1.387269 -1.603497 1.090194
C -2.717671 -2.128606 1.057277
C 4.055766 1.947985 0.306605
C 3.737960 -2.191172 -0.177575
C -1.957343 1.823693 -0.465611
C -4.367070 1.907898 -0.982296
C -3.057584 2.488270 -0.959889
C 4.343394 3.437305 0.079388
C 4.761881 -3.135645 -0.819072
C 5.491181 3.927369 0.959271
C 4.892251 -4.438324 -0.033083
H 1.185190 -1.520179 -0.494691
H 0.428287 1.239398 0.750422
H -5.382388 -2.446579 -0.313641
H -5.694532 -1.759331 1.289551
H 1.987146 2.058403 -0.356554
H 3.131336 1.647000 -1.655824
H 4.603305 -0.375859 -1.009480
H 3.333441 -1.095120 -2.029760
H -6.185280 -0.470037 -1.317307
H -6.501339 0.213430 0.286662
H 1.250220 -0.278776 -2.720013
H 0.521134 1.138661 -1.958451
H -0.374414 -0.374020 -2.032875
H -0.600236 -2.220092 1.535587
H -2.905489 -3.119787 1.457137
H 3.806654 1.762349 1.370254
H 4.966533 1.348999 0.112775
H 4.026921 -1.962574 0.867300
H 2.751095 -2.690269 -0.104169
H -0.980595 2.300871 -0.455387
H -5.195662 2.480526 -1.384735
H -2.949573 3.499813 -1.352084
H 1.896428 -0.345892 1.868052
H 3.433961 4.034307 0.289075
H 4.586886 3.618570 -0.985780
H 5.749558 -2.637697 -0.880153
H 4.469131 -3.358827 -1.863803
H 6.420289 3.384331 0.752135
H 5.267008 3.795711 2.024421
H 5.689490 4.992490 0.795585
H 5.215466 -4.256489 0.998575
H 5.626667 -5.108092 -0.494001
H 3.939578 -4.978365 0.014993


%chk=000224548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224548

0 1
O 1.075754 0.101382 1.701446
N 2.630896 0.188968 -0.394288
C 1.181884 -0.026178 -0.733145
C 0.330229 0.475202 0.500121
C -1.061867 -0.144449 0.532948
C -3.456379 -0.194734 0.028672
C -2.213243 0.513800 -0.040754
C -3.610010 -1.479619 0.625393
C -4.689741 0.307843 -0.483131
C -5.071744 -1.911329 0.517031
C 3.121184 1.587975 -0.562122
C 3.532327 -0.850191 -0.969562
C -5.791691 -0.719760 -0.225225
C 0.729263 0.562110 -2.085158
C -1.229080 -1.406386 1.132815
C -2.487907 -2.090335 1.187842
C 4.268800 1.937274 0.409519
C 3.550625 -2.157252 -0.148130
C -2.269085 1.807864 -0.669373
C -4.710531 1.564504 -1.089204
C -3.481605 2.305238 -1.170030
C 4.776699 3.385818 0.223594
C 4.450244 -3.241472 -0.784462
C 5.922153 3.743447 1.194976
C 4.482215 -4.546174 0.040412
H 1.046096 -1.124195 -0.765391
H 0.246056 1.583563 0.445243
H -5.174420 -2.857214 -0.047334
H -5.514704 -2.088283 1.515056
H 2.275353 2.271155 -0.357460
H 3.445440 1.785611 -1.611353
H 4.557761 -0.437368 -0.999354
H 3.255658 -1.078373 -2.026537
H -6.257248 -1.057164 -1.170266
H -6.603316 -0.292756 0.393089
H 1.356237 0.176035 -2.910331
H 0.790067 1.665562 -2.097760
H -0.317362 0.282172 -2.294615
H -0.349251 -1.852785 1.608302
H -2.550170 -3.070170 1.674915
H 3.910194 1.795513 1.448137
H 5.116670 1.236751 0.269213
H 3.901352 -1.927621 0.877447
H 2.520634 -2.553447 -0.043718
H -1.366204 2.421768 -0.754466
H -5.633381 1.994259 -1.494955
H -3.496111 3.297172 -1.637318
H 2.027305 0.040204 1.339221
H 3.933322 4.091007 0.371038
H 5.120331 3.524469 -0.822225
H 5.481628 -2.847178 -0.893495
H 4.090969 -3.461257 -1.810896
H 6.791010 3.074540 1.047246
H 5.595643 3.641001 2.246759
H 6.267274 4.783194 1.047733
H 4.867188 -4.360364 1.060602
H 5.128552 -5.308493 -0.431966
H 3.467838 -4.976253 0.139453


