%chk=000200810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200810

0 1
O 1.907352 0.763273 1.992341
N -2.918522 -0.060465 -0.065219
N 0.293765 0.826458 0.381614
C 2.491561 -0.252123 -0.117446
C 1.829115 -1.474427 -0.773426
C 3.009985 0.735797 -1.177899
C 1.552552 0.466013 0.859830
C -1.543072 0.300079 2.015248
C 1.354530 -2.504108 0.261714
C 3.877195 1.839394 -0.555372
C -2.204047 -0.722800 1.075939
C -0.730649 1.388271 1.291712
C -4.128450 0.692630 0.410446
C -3.295250 -1.067185 -1.115237
C 0.538151 -3.617363 -0.388472
C 4.373145 2.825839 -1.609006
C -4.546440 1.723233 -0.639751
C -2.066859 -1.473764 -1.930545
H 3.362063 -0.606532 0.497429
H 0.984152 -1.159481 -1.415441
H 2.554013 -1.953339 -1.462257
H 3.600364 0.184829 -1.935913
H 2.162935 1.189272 -1.727720
H -2.309585 0.794755 2.643265
H -0.880189 -0.244260 2.719526
H 2.228747 -2.934044 0.790263
H 0.750256 -2.009969 1.049649
H 3.301065 2.378614 0.225514
H 4.738794 1.389234 -0.023942
H -2.868190 -1.386817 1.671271
H -1.412395 -1.378464 0.645299
H -1.408252 2.028551 0.681360
H -0.226588 2.037641 2.046175
H -0.070520 0.439453 -0.486374
H -4.982686 0.025101 0.654548
H -3.866007 1.223402 1.353240
H -3.787583 -1.968664 -0.690807
H -4.037937 -0.593900 -1.797878
H 1.111784 -4.146529 -1.157636
H -0.372408 -3.220008 -0.869444
H 0.221393 -4.360945 0.351509
H 4.992906 3.607192 -1.153572
H 4.980197 2.331534 -2.375300
H 3.541232 3.325978 -2.117833
H -5.327566 2.384983 -0.252516
H -4.927293 1.249683 -1.551788
H -3.692154 2.346011 -0.938230
H -2.359852 -2.039413 -2.821242
H -1.371159 -2.103793 -1.349801
H -1.509600 -0.589723 -2.265624


%chk=000200810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200810

0 1
O 2.046344 0.355739 2.237941
N -2.770775 0.123304 -0.152202
N 0.253668 0.495804 0.764095
C 2.421047 -0.354053 -0.095729
C 1.876597 -1.701285 -0.648202
C 2.586482 0.698973 -1.228113
C 1.568311 0.188410 1.070155
C -1.768482 0.041349 2.198020
C 1.740418 -2.811197 0.418627
C 3.207937 2.032764 -0.755704
C -2.447319 -0.722693 1.033951
C -0.689154 1.053828 1.742080
C -3.774644 1.184991 0.158151
C -3.209253 -0.709557 -1.311413
C 1.230961 -4.142881 -0.173319
C 3.401673 3.039321 -1.909682
C -3.725530 2.363811 -0.832875
C -2.064970 -1.477479 -1.998362
H 3.414772 -0.538726 0.356599
H 0.893787 -1.539165 -1.139102
H 2.562276 -2.048862 -1.448646
H 3.227156 0.258866 -2.020451
H 1.603037 0.900690 -1.704366
H -2.516048 0.585329 2.808148
H -1.307075 -0.710023 2.866985
H 2.722972 -2.969289 0.905918
H 1.054458 -2.471223 1.219550
H 2.564842 2.482024 0.026092
H 4.182151 1.826312 -0.269233
H -3.356947 -1.247705 1.424068
H -1.752730 -1.510799 0.691199
H -1.175986 1.937879 1.289926
H -0.095724 1.386106 2.611338
H -0.121945 0.336021 -0.174605
H -4.809478 0.760049 0.194958
H -3.562517 1.571704 1.170196
H -4.009043 -1.429404 -0.999776
H -3.667620 -0.033372 -2.055121
H 1.918358 -4.520856 -0.953802
H 0.234900 -4.016505 -0.640873
H 1.141506 -4.923154 0.604569
H 3.850540 3.982973 -1.549038
H 4.066420 2.626793 -2.692499
H 2.434875 3.287287 -2.387874
H -4.452214 3.143870 -0.539111
H -3.970036 2.054121 -1.864791
H -2.715463 2.810243 -0.843291
H -2.451913 -2.031435 -2.873593
H -1.588883 -2.214247 -1.326828
H -1.287738 -0.775543 -2.351763


