%chk=000036459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036459

0 1
 O   0.2294000      -1.894100      5.5000000E-03
 O   -4.743400      -1.480500     -1.5699999E-02
 O   -5.221800       1.257000     -9.4999997E-03
 N    2.444100     -0.3878000      2.3700001E-02
 C    4.889100     -0.2188000     -3.5999999E-03
 C    3.565600      0.5440000      2.2200000E-02
 C    6.079500      0.7408000     -2.7300000E-02
 C    1.175400      0.3268000      1.4900000E-02
 C   3.9200000E-02 -0.6796000      8.2999999E-03
 C    7.401300     -1.0500000E-02 -1.7300000E-02
 C   -1.363500     -0.1672000      4.6999999E-03
 C   -2.396600      -1.075900     -2.9000000E-03
 C   -1.567300       1.193400      7.6000001E-03
 C   -3.706700     -0.5970000     -8.0000004E-03
 C   -2.877200       1.672300      2.4999999E-03
 C   -3.947000      0.7772000     -5.1000002E-03
 H    4.927300     -0.8693000     -0.8866000    
 H    4.960600     -0.8678000      0.8785000    
 H    3.529400       1.182700      0.9132000    
 H    3.510700       1.193800     -0.8596000    
 H    6.039300       1.406000      0.8431000    
 H    6.030700       1.372900     -0.9215000    
 H    2.498500     -0.9818000      0.8510000    
 H    1.095000      0.9488000      0.9129000    
 H    1.105600      0.9381000     -0.8912000    
 H    8.238200      0.6947000     -3.5799999E-02
 H    7.495900     -0.6262000      0.8828000    
 H    7.487800     -0.6637000     -0.8915000    
 H   -2.225000      -2.148200     -5.4000001E-03
 H  -0.7680000       1.925300      1.2700000E-02
 H   -3.050800       2.745200      4.6000001E-03
 H   -5.575400     -0.9759000     -1.8400000E-02
 H   -5.194400       2.229200     -6.5000001E-03


%chk=000036459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036459

0 1
O 0.349291 -1.722644 0.299045
O -4.738247 -1.588549 0.343024
O -5.458585 0.980047 -0.058436
N 2.476722 -0.142736 -0.246303
C 4.957594 -0.167960 -0.138964
C 3.668497 0.639302 0.109391
C 6.237590 0.612697 0.235968
C 1.190093 0.518370 -0.087855
C 0.059426 -0.506617 0.082973
C 7.527102 -0.195904 -0.023159
C -1.361398 -0.044348 0.027919
C -2.385233 -1.015453 0.206495
C -1.713839 1.316102 -0.185658
C -3.733420 -0.635771 0.170771
C -3.069681 1.704215 -0.218995
C -4.072322 0.731068 -0.043130
H 4.990686 -0.462685 -1.205919
H 4.919055 -1.110074 0.448268
H 3.652881 0.986345 1.177002
H 3.691794 1.557394 -0.514301
H 6.191318 0.903646 1.305421
H 6.270884 1.557901 -0.343731
H 2.457100 -1.103978 0.120357
H 1.144101 1.183335 0.817659
H 0.967910 1.173685 -0.956362
H 8.429433 0.381522 0.250267
H 7.532943 -1.131987 0.566629
H 7.612442 -0.473033 -1.090717
H -2.111527 -2.061338 0.371824
H -0.942711 2.078916 -0.324844
H -3.341262 2.754299 -0.383227
H -5.624449 -1.143619 0.285227
H -5.668692 1.931752 -0.214338


