%chk=000047157.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047157

0 1
 O   -4.303200       1.518000      0.1254000    
 N   -5.778500     -0.2466000     -0.2062000    
 N   -3.541500     -0.6999000     -1.5100000E-02
 N    2.000600     -0.1894000      0.6237000    
 N    2.546700     -3.2800000E-02 -0.4937000    
 C   -6.963100      0.3465000      0.3415000    
 C   -6.732400      0.3152000      -1.117000    
 C   -4.505100      0.3140000     -1.6300000E-02
 C   -2.143200     -0.5712000      0.1456000    
 C   -1.330900      -1.704800      0.1193000    
 C   -1.575700      0.6894000      0.3323000    
 C   4.9100000E-02  -1.578000      0.2791000    
 C  -0.1958000      0.8161000      0.4924000    
 C   0.6101000     -0.3181000      0.4648000    
 C    3.930300      9.5500000E-02 -0.3360000    
 C    4.743600      -1.037400     -0.3648000    
 C    4.497100       1.356500     -0.1504000    
 C    6.123900     -0.9093000     -0.2082000    
 C    5.877300       1.484500      6.3999998E-03
 C    6.691000      0.3517000     -2.2900000E-02
 H   -6.817900       1.272100      0.8791000    
 H   -7.635700     -0.3742000      0.7828000    
 H   -7.240200     -0.4275000      -1.714400    
 H   -6.415000       1.216600      -1.620900    
 H   -3.887400      -1.647400     -0.1462000    
 H   -1.760400      -2.692800     -2.4900001E-02
 H   -2.138600       1.611500      0.3646000    
 H   0.6747000      -2.466300      0.2575000    
 H   0.2394000       1.801400      0.6377000    
 H    4.311500      -2.024200     -0.5095000    
 H    3.871900       2.245400     -0.1272000    
 H    6.757200      -1.791300     -0.2310000    
 H    6.318700       2.466300      0.1508000    
 H    7.765600      0.4515000      9.8899998E-02


%chk=000047157-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047157

0 1
O -4.594729 -0.211086 1.796225
N -5.966731 -0.517270 -0.123768
N -3.656578 -0.460680 -0.364745
N 1.936955 0.000789 0.483598
N 2.721334 -0.106213 -0.562170
C -7.200650 0.059055 0.468875
C -6.658080 0.617222 -0.845649
C -4.711546 -0.356939 0.547137
C -2.267992 -0.345600 -0.121423
C -1.396671 -0.470043 -1.246565
C -1.720179 -0.115270 1.170780
C -0.010126 -0.364060 -1.093272
C -0.325882 -0.007809 1.314006
C 0.545286 -0.127877 0.199033
C 4.119111 0.023606 -0.271105
C 4.666829 0.244164 1.025609
C 4.981409 -0.083580 -1.394483
C 6.060991 0.354366 1.180835
C 6.377954 0.028548 -1.230022
C 6.921731 0.247667 0.057602
H -7.073318 0.660483 1.376170
H -8.073181 -0.600275 0.457002
H -7.137247 0.351077 -1.792857
H -6.181745 1.605013 -0.815484
H -3.937442 -0.686584 -1.322327
H -1.823796 -0.650234 -2.241951
H -2.387698 -0.032522 2.029989
H 0.667182 -0.457455 -1.947246
H 0.120698 0.169003 2.298012
H 3.984552 0.323169 1.877436
H 4.530897 -0.253509 -2.378115
H 6.486764 0.523704 2.176480
H 7.039781 -0.054483 -2.098966
H 8.006217 0.334624 0.188561


