%chk=000021299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021299

0 1
 O  -0.7821000       1.038500      0.5282000    
 N    2.238100      -1.608600     -0.4635000    
 N   -4.395600       1.363900     -0.2064000    
 C    1.742100       2.145900     -0.1275000    
 C    2.792000       2.570200      0.8996000    
 C    1.486600      0.6639000     -0.1304000    
 C    4.232500       2.323400      0.4531000    
 C    4.609200      0.8524000      0.2816000    
 C    3.858700      0.1527000     -0.8502000    
 C    2.465900     -0.2681000     -0.4630000    
 C   0.2241000      0.1683000      0.2059000    
 C  -3.1900000E-02  -1.208400      0.2109000    
 C   -1.944300       1.008100     -0.2928000    
 C    1.020000      -2.073500     -0.1348000    
 C   -3.156300       1.395400      0.5581000    
 C   -1.294700      -1.725100      0.5491000    
 C   -1.707300       1.955200      -1.462200    
 C   0.7718000      -3.443600     -0.1311000    
 C   -1.517900      -3.098800      0.5452000    
 C  -0.4822000      -3.959600      0.2044000    
 C   -5.537900       1.698500      0.6468000    
 C   -4.590800      4.9100000E-02 -0.8210000    
 H    2.032200       2.464700      -1.136500    
 H   0.8250000       2.701500      9.6600004E-02
 H    2.683700       3.649200       1.068700    
 H    2.609000       2.082600       1.865200    
 H    4.424800       2.863600     -0.4823000    
 H    4.901900       2.761500       1.203800    
 H    4.472100      0.3164000       1.228900    
 H    5.681600      0.8142000      5.1500000E-02
 H    4.425400     -0.7448000      -1.130600    
 H    3.820500      0.7797000      -1.749000    
 H   -2.086000      3.9099999E-02 -0.7682000    
 H   -2.992000       2.406200      0.9558000    
 H   -3.214100      0.7432000       1.439500    
 H   -2.108500      -1.123200      0.9310000    
 H  -0.8283000       1.653600      -2.042200    
 H   -1.511400       2.972600      -1.105100    
 H   -2.560300       1.989200      -2.146400    
 H    1.567900      -4.138100     -0.3934000    
 H   -2.486900      -3.496500      0.8308000    
 H  -0.6442000      -5.033500      0.2041000    
 H   -5.407400       2.691300       1.091800    
 H   -5.676500      0.9725000       1.456200    
 H   -6.460600       1.739700      5.7200000E-02
 H   -5.599600     -2.3399999E-02  -1.246400    
 H   -4.479800     -0.7713000     -0.1027000    
 H   -3.923300     -0.1153000      -1.671900    


%chk=000021299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021299

0 1
O -0.859045 0.869513 0.570254
N 2.384897 -1.638955 -0.589921
N -4.484893 1.385305 -0.262201
C 1.682324 2.103754 -0.067690
C 2.724821 2.535877 1.006517
C 1.456998 0.604490 -0.141756
C 4.202030 2.372020 0.578691
C 4.651049 0.922317 0.281214
C 3.896513 0.241720 -0.897394
C 2.524916 -0.296763 -0.527076
C 0.213180 0.036739 0.181023
C 0.038508 -1.394838 0.193138
C -2.014118 0.963551 -0.391413
C 1.166260 -2.196719 -0.225678
C -3.215074 1.348820 0.496689
C -1.159448 -2.048172 0.627207
C -1.720980 1.988876 -1.490162
C 1.037648 -3.621863 -0.252089
C -1.252916 -3.442888 0.604325
C -0.152530 -4.235428 0.148354
C -5.495496 2.266951 0.357556
C -5.027154 0.040159 -0.545970
H 2.013195 2.490288 -1.054384
H 0.715200 2.581439 0.161131
H 2.548946 3.604576 1.241475
H 2.534869 1.972774 1.941613
H 4.377731 2.989401 -0.328048
H 4.852433 2.792218 1.372301
H 4.545031 0.296878 1.189593
H 5.730856 0.936661 0.033702
H 4.480322 -0.617871 -1.267776
H 3.810262 0.972009 -1.729155
H -2.165317 -0.037055 -0.842259
H -3.019684 2.355654 0.910123
H -3.255689 0.643504 1.364869
H -1.986760 -1.444291 1.014463
H -0.869884 1.673141 -2.119369
H -1.489681 2.974683 -1.048020
H -2.618775 2.095118 -2.124471
H 1.905969 -4.199887 -0.583239
H -2.168902 -3.935765 0.948814
H -0.241665 -5.327287 0.129973
H -5.084456 3.285779 0.468165
H -5.835328 1.917839 1.365458
H -6.384033 2.326763 -0.296619
H -5.934349 0.131546 -1.169132
H -5.298365 -0.524899 0.382566
H -4.294215 -0.563183 -1.108992


