%chk=000162746.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162746

0 1
 O    1.550000      -2.390100     -0.9100000    
 N    4.092900      0.8271000      -1.060300    
 C    1.259400      -1.387700      6.5499999E-02
 C    2.391900     -0.3853000      0.1127000    
 C  -5.7700001E-02 -0.7385000     -0.2679000    
 C   -2.445200     -0.2044000      0.2423000    
 C   -1.150700     -0.8038000      0.5265000    
 C    2.744900      0.2022000       1.307400    
 C    3.072100     -5.8800001E-02  -1.033800    
 C   -2.544800      0.8337000     -0.6840000    
 C   -3.586900     -0.6678000      0.8961000    
 C    3.790400       1.119000       1.320400    
 C   -3.786300       1.408400     -0.9564000    
 C   -4.828400     -9.3199998E-02  0.6236000    
 C    4.426400       1.394300      0.1207000    
 C   -4.928100      0.9450000     -0.3028000    
 H    1.207900      -1.908900       1.029500    
 H  -9.7999997E-02 -0.2305000      -1.228000    
 H   -1.077600      -1.353900       1.462400    
 H    2.225400     -3.4000002E-02   2.231100    
 H    2.827300     -0.4847000      -2.001000    
 H   -1.681300       1.241100      -1.201500    
 H   -3.529100      -1.476900       1.620300    
 H    4.097300       1.602900       2.240500    
 H   0.8194000      -3.032300     -0.9006000    
 H   -3.863900       2.220100      -1.673900    
 H   -5.717500     -0.4539000       1.132500    
 H    5.247700       2.102100      7.7299997E-02
 H   -5.894500       1.393200     -0.5141000    


%chk=000162746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162746

0 1
O 1.631120 -2.203873 -1.415169
N 4.746823 0.269911 -0.489035
C 1.281891 -1.389302 -0.228104
C 2.453792 -0.441478 0.024349
C -0.025910 -0.662582 -0.454221
C -2.453902 -0.219167 0.181419
C -1.131677 -0.860513 0.321122
C 2.362819 0.556967 1.025221
C 3.667205 -0.543147 -0.702225
C -2.751330 0.736869 -0.832666
C -3.484793 -0.567267 1.099546
C 3.468932 1.401346 1.260912
C -4.031633 1.317484 -0.921706
C -4.767222 0.014824 1.012091
C 4.636187 1.222975 0.482700
C -5.047011 0.960684 -0.000521
H 1.169472 -2.058691 0.655233
H -0.029450 0.032824 -1.303871
H -1.045805 -1.576501 1.154710
H 1.438048 0.676872 1.601875
H 3.769495 -1.300080 -1.483276
H -1.979352 1.028262 -1.553426
H -3.273318 -1.301594 1.887200
H 3.430212 2.183315 2.025921
H 0.840643 -2.750975 -1.654178
H -4.242572 2.050724 -1.708210
H -5.545247 -0.267564 1.729893
H 5.516716 1.858829 0.631561
H -6.041134 1.415248 -0.072645


