%chk=000060429.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060429

0 1
 O    3.013100     -0.8204000      0.7937000    
 O    1.047900      0.9024000      -1.568600    
 N   -3.127500      6.4900003E-02 -4.5600001E-02
 N   0.4970000     -0.7800000     -0.1038000    
 C   -1.726400      0.1124000      0.3710000    
 C   -3.927500       1.000100      0.7442000    
 C   -3.653600      -1.293600      8.3800003E-02
 C  -0.8897000     -0.8325000     -0.4789000    
 C   -3.394900       2.417800      0.6214000    
 C   -5.090600      -1.374500     -0.4025000    
 C    1.398500      0.1106000     -0.6918000    
 C    2.775000      6.6699997E-02 -0.1786000    
 C    3.854700      0.7861000     -0.5338000    
 C    4.893300      0.3080000      0.3002000    
 C    4.330800     -0.6681000       1.089200    
 H   -1.613200     -0.1370000       1.434700    
 H   -1.302700       1.112100      0.2285000    
 H   -4.956200       1.037600      0.3711000    
 H   -3.968900      0.7132000       1.802600    
 H   -3.113500      -1.992700     -0.5600000    
 H   -3.586000      -1.666700       1.113300    
 H  -0.9875000     -0.5969000      -1.544900    
 H   -1.156500      -1.881800     -0.3320000    
 H   -2.485200       2.576700       1.208700    
 H   -3.201900       2.692600     -0.4213000    
 H   -4.139600       3.122300       1.009700    
 H   -5.797300     -0.9291000      0.3045000    
 H   -5.216500     -0.8974000      -1.380500    
 H   -5.382600      -2.425200     -0.5128000    
 H   0.8231000      -1.404500      0.6287000    
 H    3.920300       1.557900      -1.287100    
 H    5.923200      0.6339000      0.3234000    
 H    4.712800      -1.313100       1.867200    


%chk=000060429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060429

0 1
O 3.201381 -1.138790 0.223178
O 0.907234 1.629629 -0.488325
N -3.170121 -0.088930 0.266696
N 0.546840 -0.678994 -0.333048
C -1.729980 -0.143822 0.603877
C -3.847485 1.157933 0.705954
C -3.903846 -1.335952 0.598425
C -0.892626 -0.585225 -0.626249
C -3.434114 2.381889 -0.134587
C -5.137263 -1.571936 -0.295450
C 1.344617 0.449767 -0.286237
C 2.773999 0.200446 0.011450
C 3.861770 1.051963 0.132428
C 5.016404 0.234839 0.429471
C 4.581965 -1.080419 0.477040
H -1.526643 -0.830220 1.458976
H -1.374967 0.857213 0.905195
H -4.937439 1.007025 0.599722
H -3.660127 1.364685 1.790402
H -3.203310 -2.181653 0.458104
H -4.210680 -1.359069 1.675838
H -1.047479 0.158832 -1.426186
H -1.242037 -1.566315 -0.995003
H -2.345301 2.564701 -0.086681
H -3.703081 2.222988 -1.193588
H -3.946313 3.292375 0.229575
H -5.889537 -0.770939 -0.179203
H -4.835355 -1.601431 -1.356985
H -5.626544 -2.529588 -0.035766
H 0.976163 -1.586505 -0.142482
H 3.820156 2.132413 0.017745
H 6.036585 0.578711 0.586868
H 5.069031 -2.033820 0.662545


