%chk=000021295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021295

0 1
 O  -0.8330000     -0.4074000       1.045300    
 N    2.838300     -4.4500001E-02 -0.8261000    
 N   -4.643200      5.0299998E-02 -0.7237000    
 C   0.5933000       3.227700       1.143800    
 C  -5.2499998E-02   2.190000      0.2255000    
 C    1.638400       4.103000      0.4531000    
 C   0.8131000      0.9804000      3.4000000E-03
 C    2.885200       3.359800     -2.4599999E-02
 C    2.610900       2.349100      -1.137000    
 C    2.052700       1.047300     -0.6269000    
 C   0.3838000     -0.2785000      0.4317000    
 C    1.177000      -1.415800      0.2358000    
 C    2.415700      -1.250100     -0.4065000    
 C   -1.953100     -0.6565000      0.2032000    
 C   -3.199700     -0.7878000       1.067700    
 C   0.7626000      -2.689500      0.6622000    
 C   -4.443300      -1.041200      0.2218000    
 C    3.209300      -2.377000     -0.6037000    
 C    1.573900      -3.800800      0.4532000    
 C    2.799800      -3.643900     -0.1811000    
 C   -4.848600       1.315100     -1.5300000E-02
 C   -5.780600     -0.2297000      -1.601800    
 H  -0.1975000       3.893900       1.511700    
 H    1.031200       2.745200       2.026500    
 H  -0.3113000       2.633000     -0.7443000    
 H   -1.009100       1.917800      0.6827000    
 H    1.176900       4.628200     -0.3924000    
 H    1.954500       4.879400       1.161100    
 H    3.383800       2.877200      0.8251000    
 H    3.584400       4.110700     -0.4139000    
 H    3.559300       2.141400      -1.649400    
 H    1.941100       2.767400      -1.897700    
 H   -2.051100      0.1651000     -0.5144000    
 H   -1.795600      -1.582300     -0.3634000    
 H   -3.304300      7.5599998E-02   1.734200    
 H   -3.060100      -1.638700       1.748000    
 H  -0.1878000      -2.839300       1.168400    
 H   -5.312800      -1.170200      0.8792000    
 H   -4.308700      -1.985600     -0.3208000    
 H    4.174000      -2.279300      -1.098500    
 H    1.251800      -4.782900      0.7854000    
 H    3.440600      -4.504600     -0.3484000    
 H   -3.934500       1.671400      0.4689000    
 H   -5.648200       1.250300      0.7318000    
 H   -5.119900       2.107000     -0.7241000    
 H   -5.897600      0.5652000      -2.346800    
 H   -6.719900     -0.3229000      -1.044600    
 H   -5.616500      -1.158300      -2.159900    


%chk=000021295-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021295

0 1
O -0.862419 -0.294563 1.111407
N 2.871137 -0.010533 -0.921394
N -4.842857 -0.114210 -0.739241
C 0.809805 3.311459 1.282775
C 0.082364 2.334339 0.311273
C 1.914952 4.170400 0.626133
C 0.856565 1.061661 0.018696
C 3.109091 3.382027 0.039607
C 2.739614 2.411456 -1.118966
C 2.137847 1.093740 -0.659579
C 0.369680 -0.191330 0.421674
C 1.131057 -1.389808 0.192083
C 2.390405 -1.244648 -0.502509
C -2.039514 -0.582461 0.240217
C -3.258093 -0.654763 1.160641
C 0.710278 -2.686544 0.625868
C -4.545617 -1.025162 0.394981
C 3.176527 -2.410703 -0.766683
C 1.500154 -3.808282 0.357418
C 2.737696 -3.670527 -0.348636
C -5.151174 1.265415 -0.310547
C -5.896687 -0.661246 -1.618392
H 0.050039 3.993868 1.713462
H 1.229692 2.733139 2.129179
H -0.136311 2.875224 -0.632869
H -0.886046 2.050541 0.758806
H 1.457355 4.775986 -0.184967
H 2.297469 4.892666 1.375522
H 3.619273 2.812640 0.841561
H 3.848815 4.110338 -0.347566
H 3.645291 2.156722 -1.695152
H 2.041377 2.932235 -1.807453
H -2.148602 0.218818 -0.514679
H -1.878812 -1.541746 -0.292885
H -3.370879 0.308222 1.692171
H -3.078768 -1.420729 1.939172
H -0.223660 -2.775710 1.190471
H -5.396836 -1.065943 1.124836
H -4.434246 -2.044722 -0.023813
H 4.123672 -2.272835 -1.297416
H 1.178140 -4.799686 0.695172
H 3.345570 -4.559003 -0.553004
H -4.295856 1.701782 0.233552
H -6.051274 1.328332 0.353620
H -5.337585 1.892886 -1.200163
H -6.034609 0.002121 -2.490896
H -6.888335 -0.770135 -1.108680
H -5.592984 -1.656031 -1.990408


