%chk=000019152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019152

0 1
 O  -0.5096000       1.438000     -7.8999996E-03
 O    1.359700       2.247600      -1.080100    
 N   -4.694100      0.7889000     -0.1362000    
 C   -3.305900      0.9078000     -0.5651000    
 C   -2.747600       2.273800     -0.1792000    
 C   -5.392000     -0.2288000     -0.9240000    
 C   -4.767300      0.4652000       1.289700    
 C    1.559300      0.3677000      0.4698000    
 C   -1.303600       2.436100     -0.6342000    
 C    3.072800      0.4366000      0.3112000    
 C    1.024400      -1.037600      0.2281000    
 C   0.8279000       1.450200     -0.3179000    
 C   -4.775100      -1.601700     -0.7171000    
 C   -6.208900      0.4036000       1.765300    
 C    3.699500     -0.2701000     -0.7153000    
 C    1.100900      -1.996200       1.238600    
 C    3.832400       1.206800       1.192200    
 C   0.4574000      -1.366000      -1.003400    
 C    5.085300     -0.2069000     -0.8607000    
 C   0.6108000      -3.283300       1.017500    
 C    5.218100       1.270100       1.046600    
 C  -3.2800000E-02  -2.653100      -1.224300    
 C    5.844600      0.5631000      2.0099999E-02
 C   4.3900002E-02  -3.611700     -0.2138000    
 H   -3.235500      0.8307000      -1.658500    
 H   -2.677600      0.1102000     -0.1496000    
 H   -2.772900       2.406400      0.9078000    
 H   -3.355900       3.070900     -0.6233000    
 H   -6.465800     -0.2506000     -0.7102000    
 H   -5.333700      3.4100000E-02  -1.988300    
 H   -4.229700     -0.4476000       1.570200    
 H   -4.297900       1.270000       1.866900    
 H    1.339500      0.6068000       1.522400    
 H  -0.9395000       3.428600     -0.3449000    
 H   -1.235700       2.334700      -1.723700    
 H   -3.711300      -1.647400     -0.9666000    
 H   -4.922400      -1.996000      0.2921000    
 H   -5.272700      -2.310800      -1.389900    
 H   -6.782800       1.275700       1.433600    
 H   -6.722500     -0.5046000       1.436000    
 H   -6.233000      0.3972000       2.861000    
 H    3.142400     -0.8625000      -1.433400    
 H    1.540700      -1.753300       2.202200    
 H    3.357100       1.764600       1.994700    
 H   0.3962000     -0.6454000      -1.813800    
 H    5.573100     -0.7531000      -1.662800    
 H   0.6707000      -4.029800       1.804000    
 H    5.809500       1.870500       1.731800    
 H  -0.4721000      -2.909800      -2.183900    
 H    6.923500      0.6136000     -9.4099998E-02
 H  -0.3374000      -4.613900     -0.3862000    


%chk=000019152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019152

0 1
O -0.625516 0.773541 -0.598409
O 1.000001 0.639641 -2.256609
N -4.877193 1.220347 0.246042
C -3.655369 0.830491 -0.504390
C -2.709939 2.031849 -0.736372
C -6.085828 0.444602 -0.136278
C -4.637750 1.321777 1.709109
C 1.328070 -0.523127 -0.074494
C -1.437615 1.660890 -1.495826
C 2.599161 0.217342 0.388879
C 1.619945 -1.947659 -0.577260
C 0.592617 0.333920 -1.111329
C -6.092140 -1.063761 0.240577
C -5.772182 2.037998 2.465705
C 3.720220 0.365904 -0.465614
C 1.612713 -3.002963 0.371007
C 2.647599 0.770956 1.691977
C 1.933903 -2.244530 -1.927846
C 4.869547 1.053598 -0.019369
C 1.917489 -4.326158 -0.015668
C 3.799617 1.456614 2.140763
C 2.234618 -3.570354 -2.315492
C 4.915248 1.599711 1.285138
C 2.230924 -4.615270 -1.364092
H -3.969433 0.437921 -1.491708
H -3.088275 0.012117 0.000210
H -2.429195 2.497223 0.226710
H -3.255592 2.801379 -1.315413
H -6.967716 0.935673 0.315072
H -6.205652 0.545017 -1.232357
H -4.453905 0.319400 2.173720
H -3.705323 1.899448 1.850123
H 0.652992 -0.599077 0.794934
H -0.823718 2.544380 -1.746851
H -1.645308 1.105047 -2.429438
H -5.239353 -1.597136 -0.218037
H -6.038878 -1.210218 1.334728
H -7.023221 -1.541190 -0.117768
H -5.978916 3.018756 2.001788
H -6.708904 1.452006 2.467666
H -5.481910 2.201350 3.519933
H 3.692241 -0.052466 -1.476782
H 1.374353 -2.784637 1.419510
H 1.781198 0.666618 2.356962
H 1.928994 -1.442502 -2.673232
H 5.730645 1.163108 -0.688289
H 1.908069 -5.128239 0.731051
H 3.825101 1.876620 3.152646
H 2.471966 -3.785728 -3.363623
H 5.809796 2.130463 1.629952
H 2.466204 -5.641391 -1.668259


