%chk=000115506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115506

0 1
 O   -1.715200      -2.938400     -0.6496000    
 N   0.7366000      0.5896000     -0.2221000    
 C  -0.6342000      0.6078000      0.3426000    
 C   -1.445600     -0.5290000     -0.3865000    
 C   -1.272200       1.993500      4.4199999E-02
 C  -0.6266000      0.3246000       1.873800    
 C    1.608900       1.688100      0.2035000    
 C  -0.9289000      -1.937100     -6.0000001E-03
 C  -0.4036000       3.171200      0.4779000    
 C  -0.1488000      -1.082700       2.240900    
 C   0.9887000       3.048200     -0.1224000    
 C  -0.9255000      -2.168100       1.505200    
 C    2.959700       1.541000     -0.4984000    
 C   -2.935500     -0.4399000     -0.1548000    
 C    3.616000      0.2068000     -0.1577000    
 C   -3.830000     -0.2599000      -1.135700    
 C    4.947700      4.6700001E-02 -0.8908000    
 C   -5.223400     -0.1811000     -0.8699000    
 C    5.563900      -1.253400     -0.5922000    
 C   -6.402000     -0.1129000     -0.6518000    
 C    6.070000      -2.315000     -0.3504000    
 H   -1.289700     -0.4209000      -1.471200    
 H   -2.245700       2.087600      0.5408000    
 H   -1.460300       2.085800      -1.034600    
 H   -1.640100      0.4590000       2.273900    
 H  -8.8999998E-03   1.051100       2.412800    
 H   0.6739000      0.5991000      -1.241000    
 H    1.785200       1.623000       1.283600    
 H   9.3900003E-02  -2.055000     -0.3848000    
 H  -0.3380000       3.212300       1.571100    
 H  -0.8653000       4.110800      0.1539000    
 H  -0.2491000      -1.231700       3.322200    
 H   0.9190000      -1.178900       2.009800    
 H   0.9263000       3.187100      -1.209900    
 H    1.624000       3.854500      0.2629000    
 H  -0.4866000      -3.149100       1.725700    
 H   -1.952700      -2.222100       1.886200    
 H    2.836200       1.625300      -1.586300    
 H    3.622500       2.360200     -0.1921000    
 H   -3.289300     -0.5264000      0.8703000    
 H    3.777700      0.1383000      0.9259000    
 H    2.964500     -0.6322000     -0.4320000    
 H   -1.352500      -3.804200     -0.3957000    
 H   -3.507100     -0.1687000      -2.167600    
 H    5.631700      0.8523000     -0.5994000    
 H    4.790500      0.1336000      -1.972300    
 H   -7.447500     -5.2400000E-02 -0.4582000    
 H    6.518600      -3.256700     -0.1357000    


%chk=000115506-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115506

0 1
O -1.752998 -2.850177 -0.843936
N 0.695427 0.557713 -0.227019
C -0.696161 0.632151 0.341040
C -1.536462 -0.479523 -0.397984
C -1.321189 2.037134 0.075875
C -0.649661 0.318143 1.866967
C 1.618605 1.663781 0.163367
C -0.942467 -1.881902 -0.080523
C -0.392484 3.195600 0.513418
C -0.113997 -1.097630 2.177551
C 1.011021 3.064298 -0.123419
C -0.923960 -2.184753 1.429893
C 2.977965 1.462697 -0.543318
C -3.013852 -0.399660 -0.082312
C 3.719323 0.185745 -0.092661
C -3.983569 -0.275250 -1.035188
C 5.021506 -0.050900 -0.906813
C -5.387682 -0.196835 -0.766456
C 5.764309 -1.251673 -0.483094
C -6.610030 -0.119122 -0.587404
C 6.379681 -2.258660 -0.122428
H -1.420016 -0.320981 -1.491740
H -2.301090 2.121626 0.583464
H -1.524238 2.126530 -1.012632
H -1.672940 0.429918 2.276740
H -0.029303 1.068870 2.390520
H 0.639906 0.513874 -1.259425
H 1.787716 1.579961 1.257367
H 0.104690 -1.892465 -0.447970
H -0.295079 3.208233 1.617764
H -0.850804 4.162529 0.230658
H -0.150234 -1.281963 3.268358
H 0.946270 -1.155793 1.866134
H 0.937101 3.205693 -1.223047
H 1.684737 3.855603 0.261863
H -0.467978 -3.180875 1.603458
H -1.961863 -2.234727 1.812477
H 2.809839 1.431825 -1.642560
H 3.611101 2.352677 -0.350944
H -3.323568 -0.455255 0.970272
H 3.973974 0.261068 0.982475
H 3.046751 -0.684131 -0.200401
H -1.387345 -3.757809 -0.687863
H -3.685720 -0.245385 -2.093672
H 5.681384 0.835881 -0.815570
H 4.767562 -0.141041 -1.982461
H -7.669719 -0.058363 -0.421399
H 6.916743 -3.134976 0.190679


