%chk=000023377.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023377

0 1
 O   2.2800000E-02  -3.410900     -0.9957000    
 N  -8.7000001E-03  -1.581000      5.9799999E-02
 N  -0.3854000      -2.844300      2.5200000E-02
 C   -2.124400     -0.3629000     -0.1430000    
 C    2.042500     -0.2345000     -0.1192000    
 C  -0.9620000     -0.7391000      0.7751000    
 C    1.341400      -1.380000      0.6105000    
 C   -3.174700      0.5185000      0.5404000    
 C    3.456000      4.1099999E-02  0.4035000    
 C   -4.353300      0.8758000     -0.3680000    
 C    4.151300       1.204500     -0.3071000    
 C   -5.332500       1.813800      0.3393000    
 C    5.581500       1.388500      0.2023000    
 C   -6.522400       2.147800     -0.5463000    
 C    6.268000       2.562800     -0.4769000    
 H   -1.738500      0.1640000      -1.025600    
 H   -2.623800      -1.268800     -0.5098000    
 H    2.099600     -0.4657000      -1.190800    
 H    1.454600      0.6871000     -2.8999999E-02
 H   -1.328400      -1.218400       1.694200    
 H  -0.4972000      0.2036000       1.093600    
 H    1.321100      -1.208700       1.695500    
 H    1.961700      -2.276400      0.4626000    
 H   -3.551200      3.4000000E-03   1.432900    
 H   -2.692200       1.440900      0.8873000    
 H    3.406500      0.2537000       1.478700    
 H    4.060300     -0.8673000      0.2878000    
 H   -4.870900     -4.1900001E-02 -0.6723000    
 H   -3.980800       1.355400      -1.281200    
 H    3.577600       2.125300     -0.1470000    
 H    4.168100       1.017400      -1.387600    
 H   -5.693200       1.347400       1.263500    
 H   -4.821700       2.741700      0.6217000    
 H    5.572200       1.556300       1.285500    
 H    6.162200      0.4769000      1.9900000E-02
 H   -7.074900       1.243000     -0.8188000    
 H   -7.208700       2.819700     -2.1500001E-02
 H   -6.198900       2.643700      -1.467100    
 H    5.729600       3.496400     -0.2852000    
 H    7.288900       2.675600     -9.8600000E-02
 H    6.321500       2.412800      -1.559900    


%chk=000023377-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023377

0 1
O 1.369266 -3.676692 -0.091089
N 0.012379 -2.079664 0.723364
N 0.146029 -3.309078 0.102525
C -1.794113 -0.370833 0.228844
C 1.866493 -0.501216 0.007216
C -1.373650 -1.651896 0.984910
C 1.189876 -1.292159 1.153554
C -3.261721 0.007462 0.530913
C 3.099424 0.282135 0.510051
C -3.717092 1.296309 -0.190366
C 3.811843 1.065919 -0.615395
C -5.184140 1.675933 0.114505
C 5.040565 1.861630 -0.119139
C -5.634107 2.966187 -0.604231
C 5.750308 2.639328 -1.248459
H -1.134272 0.472684 0.515859
H -1.661052 -0.530149 -0.859046
H 2.171690 -1.213783 -0.781044
H 1.137286 0.199095 -0.445038
H -2.014112 -2.500380 0.684299
H -1.504677 -1.495206 2.075464
H 0.857178 -0.608856 1.956510
H 1.924411 -2.006696 1.573716
H -3.926522 -0.830835 0.235965
H -3.392100 0.138334 1.626025
H 2.792358 0.988649 1.310331
H 3.819347 -0.423754 0.973827
H -3.592251 1.169588 -1.285878
H -3.053711 2.136762 0.103181
H 3.091984 1.764108 -1.091749
H 4.129998 0.358332 -1.408722
H -5.846515 0.836764 -0.180753
H -5.308156 1.798884 1.209969
H 4.720979 2.568414 0.674088
H 5.758191 1.163145 0.357611
H -5.551094 2.858293 -1.702217
H -6.684868 3.215624 -0.368335
H -5.007065 3.826995 -0.304108
H 5.061943 3.362653 -1.725201
H 6.621392 3.202896 -0.866638
H 6.111880 1.952274 -2.036621


