%chk=000017202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017202

0 1
 O  -0.3006000     -0.9014000       1.706400    
 N    1.879000     -0.3298000     -9.2500001E-02
 C    2.292400      0.9932000      0.3960000    
 C    2.741200     -0.7830000      -1.193000    
 C    3.740000      0.9718000      0.8895000    
 C    4.203300     -0.8623000     -0.7516000    
 C    4.687800      0.4715000     -0.1945000    
 C   0.4793000     -0.3043000     -0.5164000    
 C  -0.4395000      5.6000002E-02  0.6573000    
 C   -1.892000      8.6599998E-02  0.2348000    
 C   -2.435400       1.271400     -0.2315000    
 C   -2.646500      -1.070700      0.3229000    
 C   -3.774300       1.299900     -0.6213000    
 C   -3.985500      -1.042100     -6.7100003E-02
 C   -4.549300      0.1432000     -0.5391000    
 H    1.708000       1.317200       1.260400    
 H    2.178900       1.754900     -0.3865000    
 H    2.654400     -0.1131000      -2.058800    
 H    2.430800      -1.782200      -1.522000    
 H    3.818900      0.3232000       1.771500    
 H    4.039500       1.977800       1.204900    
 H    4.830700      -1.158100      -1.600100    
 H    4.314000      -1.640200      1.4500000E-02
 H    4.739800       1.209300      -1.004400    
 H    5.700200      0.3649000      0.2104000    
 H   0.3298000      0.3956000      -1.349300    
 H   0.2063000      -1.304400     -0.8791000    
 H  -0.2268000       1.036900       1.091100    
 H   0.6382000     -0.9215000       1.959200    
 H   -1.839000       2.176500     -0.3018000    
 H   -2.227700      -2.009600      0.6723000    
 H   -4.213200       2.222500     -0.9898000    
 H   -4.588300      -1.943600     -6.8000001E-03
 H   -5.591500      0.1651000     -0.8438000    


%chk=000017202-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017202

0 1
O -0.035124 -0.833529 1.514496
N 1.843360 0.015931 -0.181642
C 2.523662 1.234205 0.342066
C 2.664137 -0.679097 -1.211570
C 3.896202 0.884698 0.952000
C 4.036421 -1.085373 -0.637715
C 4.783935 0.145758 -0.075651
C 0.440595 0.266798 -0.603413
C -0.476123 0.268104 0.666765
C -1.941642 0.115042 0.286423
C -2.652031 1.218614 -0.250564
C -2.601617 -1.129128 0.428794
C -3.998027 1.077165 -0.656172
C -3.949696 -1.269688 0.027954
C -4.651261 -0.170383 -0.520011
H 1.874459 1.695269 1.108266
H 2.658985 1.984148 -0.477723
H 2.819245 -0.022146 -2.104398
H 2.108075 -1.572846 -1.548753
H 3.740018 0.239902 1.838585
H 4.388451 1.813240 1.298894
H 4.632569 -1.577427 -1.429737
H 3.880215 -1.825149 0.171602
H 5.036557 0.835134 -0.908112
H 5.739600 -0.161063 0.389181
H 0.316425 1.214218 -1.175272
H 0.123243 -0.570147 -1.251537
H -0.343964 1.233827 1.206048
H 0.940921 -0.929258 1.262520
H -2.156798 2.194271 -0.343413
H -2.047251 -1.961014 0.873239
H -4.537950 1.936878 -1.069550
H -4.455605 -2.234735 0.148963
H -5.697088 -0.281017 -0.828762


