%chk=000025849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025849

0 1
 O   0.3222000      0.9547000     -0.5740000    
 N    3.912800      0.7160000      0.1746000    
 C  -0.8889000      0.5255000      8.2599998E-02
 C   -2.119100      0.9652000     -0.7771000    
 C  -0.8901000       1.274700       1.438100    
 C   -2.178900       2.501000     -0.9149000    
 C  -0.9590000       2.795300       1.273600    
 C   -2.152400       3.222700      0.4290000    
 C  -0.7750000     -0.9964000      0.1969000    
 C   -3.456300      0.4239000     -0.2484000    
 C  -0.7606000      -1.801500     -0.9414000    
 C    1.468100      0.5941000      0.1787000    
 C  -0.6843000      -1.574000       1.462700    
 C    2.709100       1.050800     -0.5715000    
 C  -0.6550000      -3.186500     -0.8135000    
 C  -0.8565000      -1.204700      -2.307000    
 C  -0.5789000      -2.959100       1.590400    
 C  -0.5643000      -3.765300      0.4524000    
 C    5.107000       1.192800     -0.5274000    
 C    4.000400     -0.7293000      0.3962000    
 H   -2.048900      0.6669000      -1.817000    
 H  -7.0699997E-02   1.039500       2.121000    
 H   -1.785300      0.9780000       2.003200    
 H   -3.079100       2.797500      -1.467300    
 H   -1.325500       2.842000      -1.515600    
 H  -3.3300001E-02   3.167200      0.8187000    
 H   -1.031100       3.264400       2.261900    
 H   -3.081000       3.026000      0.9774000    
 H   -2.112700       4.305200      0.2620000    
 H   -3.489300     -0.6690000     -0.2892000    
 H   -3.654600      0.7281000      0.7828000    
 H   -4.286400      0.7904000     -0.8628000    
 H    1.519700       1.092000       1.147800    
 H    1.516800     -0.4853000      0.3088000    
 H  -0.6972000      -1.003000       2.383500    
 H    2.714600      0.6094000      -1.577600    
 H    2.643500       2.136800     -0.7197000    
 H  -0.6451000      -3.828400      -1.690500    
 H   -1.898700      -1.136800      -2.633100    
 H  -0.3101000     -0.2722000      -2.450100    
 H  -0.3772000      -1.886500      -3.023600    
 H  -0.5098000      -3.410700       2.575700    
 H  -0.4832000      -4.843700      0.5520000    
 H    5.060000       2.277900     -0.6724000    
 H    5.226500      0.7179000      -1.508100    
 H    6.007400      0.9959000      6.4999998E-02
 H    3.294100      -1.069700       1.159800    
 H    4.987500     -0.9946000      0.7948000    
 H    3.851000      -1.305800     -0.5241000    


%chk=000025849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025849

0 1
O 0.318045 0.944724 -0.452450
N 4.037417 0.819768 -0.113238
C -0.951270 0.488598 0.211316
C -2.072786 1.043788 -0.737666
C -1.055499 1.176968 1.603387
C -2.018796 2.596950 -0.808803
C -0.981710 2.717395 1.502025
C -2.091436 3.270330 0.579771
C -0.968622 -1.062392 0.288759
C -3.481503 0.526804 -0.356968
C -0.705026 -1.895361 -0.852255
C 1.566478 0.600088 0.244358
C -1.254585 -1.701338 1.526464
C 2.700836 0.910166 -0.745699
C -0.737370 -3.306020 -0.688887
C -0.405114 -1.376374 -2.254438
C -1.293376 -3.104845 1.666461
C -1.031157 -3.919839 0.546375
C 5.077152 1.494385 -0.916995
C 4.426849 -0.564200 0.229494
H -1.845816 0.665257 -1.750399
H -0.257307 0.803591 2.273191
H -2.017705 0.899477 2.075296
H -2.847488 2.952516 -1.453273
H -1.071233 2.891600 -1.296982
H 0.005300 3.012097 1.096497
H -1.064182 3.156026 2.515658
H -3.083176 3.092863 1.043822
H -1.986405 4.367212 0.471199
H -3.526352 -0.576457 -0.372601
H -3.798835 0.860623 0.647705
H -4.224745 0.908611 -1.081172
H 1.702330 1.221395 1.152808
H 1.554377 -0.468676 0.538920
H -1.455102 -1.094187 2.412906
H 2.605837 0.237840 -1.637016
H 2.556037 1.946714 -1.102680
H -0.526911 -3.934019 -1.563962
H -1.340403 -1.245732 -2.833874
H 0.115264 -0.407580 -2.231092
H 0.213490 -2.106262 -2.807201
H -1.521250 -3.551560 2.640813
H -1.049508 -5.012263 0.630914
H 4.793983 2.548802 -1.083809
H 5.247058 1.018859 -1.917200
H 6.036408 1.480751 -0.368541
H 3.699849 -1.008770 0.929897
H 5.412151 -0.555323 0.728958
H 4.498003 -1.233702 -0.666493


