%chk=000005014.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005014

1 1
 O   -1.040600      0.3580000      -1.308100    
 N   -3.487800     -5.5399999E-02  2.5900001E-02
 N   9.6600004E-02  0.2087000      0.7427000    
 C   -2.270500      0.5059000      0.7465000    
 C   -3.273900      -1.536100     -0.2535000    
 C   -4.721200      0.1229000      0.8993000    
 C   -3.685600      0.6853000      -1.288700    
 C   -1.015100      0.3525000     -8.1900001E-02
 C    1.445800      4.1299999E-02  0.3498000    
 C    1.944600      -1.237900      0.1541000    
 C    2.246200       1.159200      0.1673000    
 C    3.274600      -1.402900     -0.2332000    
 C    3.575900      0.9942000     -0.2202000    
 C    1.096300      -2.453000      0.3463000    
 C    1.724700       2.544400      0.3742000    
 C    4.090100     -0.2869000     -0.4205000    
 H   -2.448300       1.569300      0.9430000    
 H   -2.184800     -2.8100001E-02   1.700100    
 H   -3.090500      -2.044400      0.6981000    
 H   -4.184300      -1.927500     -0.7183000    
 H   -2.429400      -1.679200     -0.9314000    
 H   -4.871800       1.193500       1.067300    
 H   -5.583100     -0.3092000      0.3821000    
 H   -4.551300     -0.3941000       1.848400    
 H   -3.437800       1.742200      -1.153000    
 H   -3.108000      0.2220000      -2.091100    
 H   -4.741900      0.5989000      -1.566700    
 H  -2.4000000E-02  0.4113000       1.732900    
 H    3.691500      -2.393500     -0.3945000    
 H    4.225300       1.852400     -0.3713000    
 H    1.677300      -3.376200      0.2457000    
 H   0.6531000      -2.459800       1.347700    
 H   0.2980000      -2.482900     -0.4025000    
 H    1.314600       2.655100       1.383600    
 H    2.512300       3.297600      0.2624000    
 H   0.9455000       2.772600     -0.3603000    
 H    5.125400     -0.4154000     -0.7225000    


%chk=000005014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005014

1 1
O -0.965721 -0.846076 -0.996316
N -3.559919 -0.092882 0.023993
N 0.142101 0.256152 0.753360
C -2.290263 0.078465 0.875579
C -3.762631 -1.568307 -0.354930
C -4.751723 0.367668 0.865635
C -3.490259 0.760272 -1.249183
C -0.971833 -0.211063 0.101648
C 1.514604 0.086553 0.309630
C 2.056277 -1.215449 0.119578
C 2.288106 1.271215 0.132576
C 3.409504 -1.304479 -0.293149
C 3.635831 1.129943 -0.268587
C 1.252840 -2.477271 0.358900
C 1.687578 2.648301 0.356837
C 4.192688 -0.148859 -0.488936
H -2.303198 1.112695 1.264798
H -2.386626 -0.616171 1.729395
H -3.867765 -2.158638 0.568865
H -4.680982 -1.646112 -0.956873
H -2.884888 -1.894332 -0.929264
H -4.652596 1.442405 1.082407
H -5.676375 0.187350 0.296956
H -4.776775 -0.206214 1.804758
H -3.297119 1.806749 -0.965413
H -2.681389 0.374792 -1.883945
H -4.458557 0.685069 -1.767003
H 0.005558 0.859575 1.571859
H 3.850409 -2.295173 -0.447994
H 4.247153 2.026641 -0.416533
H 1.920144 -3.346146 0.479354
H 0.628287 -2.402500 1.269008
H 0.576282 -2.678468 -0.492286
H 1.436460 2.830876 1.422015
H 2.400904 3.434690 0.062535
H 0.764929 2.796497 -0.235581
H 5.236864 -0.242965 -0.803992


