%chk=000094130.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094130

0 1
 O    3.460000      0.5161000      0.6194000    
 N   -7.439900     -0.3318000     -0.3752000    
 C    5.617200      0.1957000     -0.4614000    
 C    5.652600      -1.337700     -0.3126000    
 C    4.195500      0.7629000     -0.5708000    
 C    6.355800      0.8353000      0.7199000    
 C    5.007300      -2.076300      -1.476300    
 C    2.099000      0.4104000      0.4950000    
 C  -0.6612000      0.1959000      0.2429000    
 C    1.389100     -0.4003000       1.373000    
 C    1.443300       1.115200     -0.5078000    
 C   -2.097300      8.3999999E-02  0.1116000    
 C   4.1999999E-03 -0.5081000       1.246500    
 C   5.8300000E-02   1.007500     -0.6342000    
 C   -2.742700      -1.094300      0.4874000    
 C   -2.837600       1.154700     -0.3904000    
 C   -4.127600      -1.202100      0.3610000    
 C   -4.222500       1.046700     -0.5167000    
 C   -4.867500     -0.1317000     -0.1410000    
 C   -6.286200     -0.2420000     -0.2703000    
 H    6.156200      0.4636000      -1.379600    
 H    6.697700      -1.663500     -0.2368000    
 H    5.161500      -1.642100      0.6196000    
 H    3.714800      0.3254000      -1.454100    
 H    4.255800       1.848100     -0.7222000    
 H    5.895100      0.5713000       1.677700    
 H    6.357400       1.926900      0.6322000    
 H    7.399300      0.5035000      0.7476000    
 H    3.924400      -1.923500      -1.500000    
 H    5.428000      -1.750500      -2.432600    
 H    5.182700      -3.152700      -1.378700    
 H    1.903800     -0.9450000       2.159500    
 H    1.962200       1.775100      -1.196200    
 H  -0.5167000      -1.127700       1.971200    
 H  -0.4134000       1.554700      -1.445800    
 H   -2.205400      -1.964600      0.8543000    
 H   -2.383200       2.102200     -0.6666000    
 H   -4.615800      -2.129300      0.6518000    
 H   -4.787000       1.892000     -0.9034000    


%chk=000094130-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094130

0 1
O 3.420355 -0.159086 0.297033
N -7.807236 0.264374 0.087760
C 5.730412 0.283799 -0.347571
C 6.118033 -1.220295 -0.349754
C 4.256094 0.515063 -0.719715
C 6.072095 0.947168 1.007551
C 5.967568 -1.923358 -1.716257
C 2.032631 -0.053309 0.185785
C -0.824643 0.040051 0.155767
C 1.284408 -0.689874 1.209785
C 1.353955 0.630527 -0.855691
C -2.310383 0.088354 0.142444
C -0.117661 -0.642049 1.189502
C -0.055416 0.670439 -0.858108
C -3.087735 -0.973047 0.690436
C -3.007787 1.196946 -0.419453
C -4.492564 -0.933371 0.681512
C -4.412011 1.247026 -0.438750
C -5.173575 0.179685 0.114095
C -6.611028 0.225731 0.100059
H 6.318693 0.788708 -1.145427
H 7.172541 -1.297796 -0.017771
H 5.506731 -1.744197 0.409476
H 4.022236 0.095776 -1.719041
H 4.021590 1.599913 -0.721401
H 5.490285 0.482371 1.822728
H 5.840956 2.029060 0.998763
H 7.146448 0.830983 1.239241
H 4.910900 -1.985415 -2.034605
H 6.531530 -1.391295 -2.506399
H 6.353411 -2.957979 -1.668544
H 1.824057 -1.201513 2.012402
H 1.905172 1.118559 -1.664242
H -0.673144 -1.111651 2.008588
H -0.562795 1.174505 -1.688270
H -2.585530 -1.855048 1.101460
H -2.441845 2.045350 -0.818199
H -5.071199 -1.762657 1.100551
H -4.928348 2.111553 -0.867842


