%chk=000010604.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010604

0 1
 O   -1.593400     -0.2938000      -1.727100    
 O    1.327400      -1.426500      0.7139000    
 N   -2.663100      0.9417000       1.329000    
 N    2.736700       1.247200     -0.9814000    
 N   -2.965500      0.3056000      0.1165000    
 N    2.892400     -2.0999999E-03 -0.3643000    
 C  -0.6794000      0.7028000      0.2464000    
 C   0.6942000      0.7173000     -0.1382000    
 C   -1.279100       1.107700       1.378600    
 C    1.419500       1.654800     -0.7710000    
 C   -1.784300      0.1926000     -0.6235000    
 C    1.644100     -0.4098000      0.1164000    
 C  -0.6325000       1.720000       2.578100    
 C   0.9481000       2.981100      -1.271600    
 C   -4.181500     -0.3832000     -0.1205000    
 C    4.153200     -0.5473000     -1.4400000E-02
 C   -3.561100       1.988800       1.806700    
 C    3.395900       1.475700      -2.263800    
 C   -4.535400     -0.7608000      -1.419400    
 C    4.263000      -1.893800      0.3461000    
 C   -5.035200     -0.6908000      0.9432000    
 C    5.296400      0.2575000     -2.8200001E-02
 C   -5.731700      -1.439500      -1.652500    
 C    5.503900      -2.430300      0.6895000    
 C   -6.231300      -1.369400      0.7103000    
 C    6.537500     -0.2789000      0.3150000    
 C   -6.579500      -1.743800     -0.5876000    
 C    6.641100      -1.622900      0.6738000    
 H  -0.9148000       1.171600       3.482800    
 H  -0.9397000       2.764200       2.694000    
 H   0.4597000       1.701300       2.510200    
 H    1.584800       3.781800     -0.8816000    
 H  -7.8699999E-02   3.196400     -0.9599000    
 H   0.9761000       3.015600      -2.365300    
 H   -3.286500       2.955300       1.367900    
 H   -3.492700       2.073800       2.896400    
 H   -4.610500       1.814500       1.557400    
 H    2.760800       1.125600      -3.086000    
 H    4.354400      0.9605000      -2.362600    
 H    3.582500       2.545600      -2.404600    
 H   -3.918200     -0.5176000      -2.278100    
 H    3.408200      -2.562300      0.3424000    
 H   -4.784000     -0.4516000       1.972500    
 H    5.253700       1.316900     -0.2644000    
 H   -6.006300      -1.725700      -2.663600    
 H    5.586200      -3.478200      0.9629000    
 H   -6.888000      -1.614100       1.540000    
 H    7.422000      0.3515000      0.3111000    
 H   -7.510600      -2.272600     -0.7688000    
 H    7.607300      -2.040400      0.9416000    


%chk=000010604-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010604

0 1
O -1.817178 0.415505 -1.893193
O 1.737380 -0.925829 1.615110
N -2.612097 0.556340 1.569696
N 2.655532 0.906299 -1.294641
N -2.989930 0.539762 0.190408
N 2.941634 -0.014657 -0.240074
C -0.684092 0.636259 0.321373
C 0.716345 0.583374 -0.095478
C -1.208466 0.666983 1.614198
C 1.282713 1.216968 -1.201077
C -1.803616 0.538822 -0.629921
C 1.761089 -0.218412 0.558231
C -0.503815 0.823264 2.930774
C 0.653465 2.136466 -2.206231
C -4.273364 0.052376 -0.203481
C 4.286713 -0.257746 0.168839
C -3.477290 1.350403 2.472787
C 3.271812 0.603551 -2.610608
C -4.811816 0.470892 -1.446965
C 4.593556 -1.468223 0.842625
C -4.994157 -0.853905 0.617687
C 5.305373 0.701532 -0.073072
C -6.071581 -0.014539 -1.855512
C 5.918277 -1.710692 1.262017
C -6.262229 -1.314743 0.203882
C 6.629360 0.434427 0.335403
C -6.808488 -0.898083 -1.032116
C 6.944322 -0.771287 1.003685
H -1.068016 0.348926 3.752194
H -0.347429 1.889212 3.186253
H 0.479081 0.326595 2.867252
H 1.386047 2.858964 -2.606825
H -0.165791 2.697730 -1.728553
H 0.191872 1.572035 -3.035531
H -3.449171 2.427972 2.216756
H -3.125098 1.211856 3.505791
H -4.516015 0.993478 2.404286
H 2.883560 -0.345743 -3.028203
H 4.364710 0.531374 -2.504204
H 3.037610 1.427438 -3.301671
H -4.234144 1.146062 -2.081800
H 3.795682 -2.185786 1.045120
H -4.543486 -1.218586 1.546824
H 5.049521 1.657347 -0.542425
H -6.480892 0.304746 -2.820324
H 6.149544 -2.643935 1.787272
H -6.814274 -2.014879 0.840872
H 7.411301 1.178267 0.145311
H -7.789965 -1.263376 -1.352903
H 7.971997 -0.972804 1.324462


