%chk=000044715.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044715

0 1
 O   0.7753000       1.748700      -1.503400    
 N    2.680500      0.3778000      0.1711000    
 C    2.839700     -0.8790000     -0.5738000    
 C    3.551600      0.4079000       1.354500    
 C    4.286900      -1.070500      -1.030400    
 C    5.021900      0.2583000      0.9611000    
 C    5.252400      -1.010400      0.1477000    
 C    1.283300      0.5690000      0.5595000    
 C   0.3803000      0.6544000     -0.6771000    
 C   -1.069300      0.8522000     -0.2919000    
 C   -1.933100     -0.2317000     -0.1212000    
 C   -1.496400       2.161500     -0.1178000    
 C   -3.278600      2.0099999E-02  0.2388000    
 C   -1.505700      -1.557900     -0.2961000    
 C   -2.819400       2.409200      0.2359000    
 C   -3.705800       1.346500      0.4135000    
 C   -4.156800      -1.062000      0.4135000    
 C   -2.392000      -2.620600     -0.1190000    
 C   -3.714900      -2.373300      0.2352000    
 H    2.254400     -0.8945000      -1.495800    
 H    2.525800      -1.738500      3.3000000E-02
 H    3.277700     -0.3862000       2.061700    
 H    3.435600       1.364700       1.878000    
 H    4.549700     -0.2919000      -1.758000    
 H    4.390200      -2.034100      -1.542200    
 H    5.645900      0.2382000       1.861700    
 H    5.335600       1.130800      0.3739000    
 H    5.103300      -1.888200      0.7885000    
 H    6.286800      -1.044800     -0.2110000    
 H   0.9457000     -0.2333000       1.228800    
 H    1.203700       1.512000       1.116800    
 H   0.4405000     -0.2109000      -1.334700    
 H  -0.8286000       3.011000     -0.2287000    
 H    1.716500       1.628500      -1.716900    
 H  -0.4838000      -1.821400     -0.5493000    
 H   -3.162000       3.430000      0.3787000    
 H   -4.735100       1.563600      0.6912000    
 H   -5.195100     -0.8920000      0.6905000    
 H   -2.048000      -3.642300     -0.2522000    
 H   -4.403800      -3.201300      0.3745000    


%chk=000044715-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044715

0 1
O 1.059447 1.625777 -1.281807
N 2.641626 0.056167 0.175296
C 3.118023 -1.119108 -0.607623
C 3.507588 0.327693 1.356506
C 4.569264 -0.917475 -1.087312
C 4.967870 0.570538 0.925663
C 5.506783 -0.624878 0.106510
C 1.192816 -0.015532 0.504055
C 0.369621 0.456629 -0.743871
C -1.066945 0.802546 -0.371028
C -2.047443 -0.234803 -0.140371
C -1.431526 2.145572 -0.224620
C -3.388916 0.146202 0.266328
C -1.764122 -1.635598 -0.299570
C -2.753518 2.514638 0.171134
C -3.714626 1.534062 0.418718
C -4.369042 -0.873974 0.505158
C -2.741718 -2.606086 -0.065685
C -4.057141 -2.225036 0.346298
H 2.447485 -1.254150 -1.475601
H 3.054854 -2.048398 0.013022
H 3.474380 -0.527967 2.077080
H 3.107433 1.216540 1.877649
H 4.597268 -0.068940 -1.798296
H 4.901402 -1.820358 -1.634425
H 5.589598 0.740253 1.825408
H 5.011699 1.491021 0.311273
H 5.564004 -1.521617 0.757927
H 6.533591 -0.418505 -0.249110
H 0.871039 -1.027181 0.836571
H 0.993948 0.694802 1.326709
H 0.369868 -0.349717 -1.510897
H -0.676733 2.907007 -0.439973
H 2.018962 1.460992 -1.000164
H -0.768123 -1.954644 -0.624564
H -3.007538 3.575478 0.274837
H -4.730764 1.809963 0.725517
H -5.376989 -0.570506 0.813676
H -2.503583 -3.667085 -0.201552
H -4.814940 -2.994724 0.529731


