%chk=000114294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114294

1 1
 O    4.303900      -1.390200     -0.5691000    
 N  -0.3840000       1.161200      0.7611000    
 C   0.7607000      0.5293000      0.4395000    
 C   -1.445100      0.4747000       1.508500    
 C    1.751900       1.232300     -0.2805000    
 C   -2.412500     -0.2062000      0.5794000    
 C  -0.6325000       2.434900      0.4292000    
 C   0.9669000     -0.8026000      0.8120000    
 C    1.504000       2.565800     -0.6335000    
 C    2.944100      0.5705000     -0.6141000    
 C   0.3042000       3.171700     -0.2766000    
 C    3.143100     -0.7597000     -0.2388000    
 C    2.157500      -1.443700      0.4719000    
 C   -2.879900      0.4712000     -0.5391000    
 C   -2.826400      -1.503300      0.8521000    
 C   -3.777300     -0.1600000      -1.400500    
 C   -3.723600      -2.134500     -9.2000002E-03
 C   -4.199200      -1.462800      -1.135500    
 C    4.444400      -2.748600     -0.1568000    
 H   -1.998500       1.227900       2.087000    
 H   -1.020600     -0.1795000       2.274600    
 H   -1.570200       2.878300      0.7463000    
 H   0.2403000      -1.402200       1.346600    
 H    2.243500       3.140100      -1.186600    
 H    3.722800       1.090400      -1.168600    
 H   0.1078000       4.205000     -0.5418000    
 H    2.250200      -2.477400      0.7878000    
 H   -2.603700       1.489200     -0.7794000    
 H   -2.463500      -2.035500       1.726800    
 H   -4.152100      0.3642000      -2.274900    
 H   -4.052600      -3.148800      0.1972000    
 H   -4.899000      -1.953900      -1.805400    
 H    5.425500      -3.091100     -0.5021000    
 H    3.696200      -3.392800     -0.6311000    
 H    4.440100      -2.840700      0.9346000    


%chk=000114294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114294

1 1
O 4.207533 -1.416386 -0.639232
N -0.451569 1.390119 0.823117
C 0.679987 0.636776 0.462923
C -1.637242 0.726607 1.483019
C 1.800303 1.321765 -0.158596
C -2.434808 -0.182332 0.553853
C -0.514261 2.731261 0.585716
C 0.765592 -0.763861 0.698060
C 1.702734 2.730988 -0.397243
C 2.961721 0.586288 -0.511317
C 0.550104 3.427898 -0.028693
C 3.035891 -0.795817 -0.264231
C 1.919641 -1.466511 0.343806
C -2.798143 0.236554 -0.749842
C -2.876917 -1.440588 1.031609
C -3.590571 -0.598008 -1.567616
C -3.678249 -2.270515 0.216094
C -4.033312 -1.852302 -1.086511
C 4.367965 -2.868717 -0.416116
H -2.270563 1.548362 1.860866
H -1.270780 0.169445 2.362608
H -1.427088 3.241160 0.900849
H -0.072135 -1.313030 1.130353
H 2.541308 3.253840 -0.868210
H 3.814306 1.087640 -0.978495
H 0.447932 4.501626 -0.197220
H 1.960107 -2.543089 0.531252
H -2.470234 1.209941 -1.135747
H -2.615488 -1.768258 2.046373
H -3.868068 -0.269409 -2.574428
H -4.024156 -3.237291 0.595799
H -4.652505 -2.495515 -1.719928
H 5.372844 -3.095295 -0.795766
H 3.613823 -3.440234 -0.986940
H 4.310701 -3.109910 0.660832


