%chk=000063115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063115

0 1
 O   -3.365400       1.523500      0.1857000    
 N   -1.170500      0.6662000      0.2215000    
 N  -0.8626000      -1.697500      0.1153000    
 N    5.390400      -2.504800     -0.1911000    
 C  -0.5989000       1.987600      0.1742000    
 C   -3.132300     -0.7900000      0.1272000    
 C  -0.3823000     -0.4927000      0.2108000    
 C   -2.579300      0.5791000      0.2027000    
 C  -0.3002000       2.583000      -1.045300    
 C   -2.249400      -1.867600      5.7700001E-02
 C  -0.3530000       2.653000       1.369200    
 C   -4.516600     -0.9982000      9.5299996E-02
 C   0.2531000       3.863200      -1.070400    
 C    1.083000     -0.3678000      0.3919000    
 C   -2.768500      -3.163800     -4.4100001E-02
 C  -0.5580000       1.883700      -2.340400    
 C   0.2001000       3.933300       1.344000    
 C   0.5033000       4.538400      0.1243000    
 C   -5.020400      -2.294200     -5.9000002E-03
 C   -4.147100      -3.376900     -7.7100001E-02
 C    1.853100      -1.307800     -0.1514000    
 C    3.284000      -1.294100     -6.2399998E-02
 C    3.991100     -0.1215000      0.2282000    
 C    4.041400      -2.448600     -0.2607000    
 C    5.379100     -0.1394000      0.3082000    
 C    6.025700      -1.345700      9.2399999E-02
 H  -0.5855000       2.190000       2.324500    
 H   -5.215300     -0.1676000      0.1446000    
 H   0.4956000       4.349500      -2.011600    
 H    1.458000      0.4523000      0.9887000    
 H   -2.098300      -4.018800     -9.4599999E-02
 H   -1.619500       1.635700      -2.441600    
 H   3.7099998E-02  0.9675000      -2.409400    
 H  -0.2906000       2.508800      -3.199500    
 H   0.3951000       4.458900       2.274100    
 H   0.9343000       5.535100      0.1051000    
 H   -6.093600      -2.459400     -3.1199999E-02
 H   -4.538600      -4.386800     -0.1558000    
 H    1.428700      -2.130300     -0.7214000    
 H    3.495700      0.8340000      0.3770000    
 H    3.567900      -3.400000     -0.4888000    
 H    5.938100      0.7632000      0.5273000    
 H    7.107500      -1.412500      0.1422000    


%chk=000063115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063115

0 1
O -3.318395 1.613998 -0.134577
N -1.186817 0.634244 0.024519
N -0.877288 -1.763319 0.059557
N 5.527385 -2.609991 0.242400
C -0.602487 1.970511 0.101107
C -3.161677 -0.811186 -0.043412
C -0.371160 -0.529846 0.054200
C -2.622879 0.560066 -0.060916
C -0.472835 2.757207 -1.074654
C -2.264177 -1.927086 0.025186
C -0.188820 2.450043 1.362851
C -4.563676 -1.022180 -0.090692
C 0.108018 4.043298 -0.936896
C 1.087810 -0.344337 0.060717
C -2.801953 -3.246837 0.047743
C -0.959071 2.256078 -2.418672
C 0.385245 3.734446 1.476081
C 0.534965 4.531683 0.318423
C -5.078362 -2.328973 -0.066535
C -4.191082 -3.441940 0.003359
C 1.954225 -1.401882 0.148026
C 3.418063 -1.328205 0.148212
C 4.166472 -0.116575 0.068987
C 4.167182 -2.540404 0.233553
C 5.572546 -0.169425 0.077007
C 6.212903 -1.430631 0.164188
H -0.326414 1.816851 2.245898
H -5.217204 -0.145312 -0.143323
H 0.218458 4.670095 -1.829486
H 1.456372 0.682473 -0.013916
H -2.102269 -4.086417 0.098414
H -2.064205 2.215947 -2.429694
H -0.592819 1.236418 -2.637770
H -0.631039 2.922445 -3.233871
H 0.703091 4.108661 2.454771
H 0.975592 5.531980 0.393330
H -6.160180 -2.494750 -0.101329
H -4.597950 -4.459049 0.021370
H 1.506412 -2.402431 0.223276
H 3.656507 0.850579 0.003658
H 3.640792 -3.501432 0.297532
H 6.171356 0.744904 0.017669
H 7.305762 -1.509719 0.173108


