%chk=000056445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056445

0 1
 O   -1.765700       2.442400      0.3610000    
 O   -3.524700      -2.553500     -0.3537000    
 O    3.453800      -2.514800     -4.4700000E-02
 O    5.098200       3.118300     -0.4513000    
 O    5.535100      -1.037000       1.190200    
 N    2.437900     -0.3834000      0.1965000    
 N    5.060400      0.2919000     -0.6865000    
 C   -1.214300      0.1739000      9.8200001E-02
 C   -1.674100      -1.131300     -8.9100003E-02
 C   -3.615700       1.020100      9.5500000E-02
 C   -4.075400     -0.2851000     -9.1499999E-02
 C   -2.168300       1.297300      0.1971000    
 C   -3.121400      -1.408700     -0.1903000    
 C   0.1600000      0.4233000      0.1937000    
 C    1.068100     -0.6320000      0.1016000    
 C  -0.7593000      -2.187300     -0.1815000    
 C   0.6095000      -1.934400     -8.5600004E-02
 C   -4.530400       2.076000      0.1881000    
 C   -5.449800     -0.5345000     -0.1864000    
 C   -5.899100       1.823000      9.3599997E-02
 C   -6.357900      0.5206000     -9.3500003E-02
 C    3.474000      -1.307400      0.1264000    
 C    6.282000       1.060200     -0.7413000    
 C    4.822500     -0.6687000      0.2701000    
 C    6.154400       2.331100      8.3300002E-02
 H   0.5295000       1.435900      0.3397000    
 H   -1.092900      -3.211400     -0.3270000    
 H    1.257100      -2.797200     -0.1643000    
 H   -4.198200       3.100400      0.3337000    
 H   -5.832800      -1.541000     -0.3320000    
 H   -6.608200       2.642700      0.1657000    
 H   -7.424000      0.3264000     -0.1670000    
 H    2.698200      0.5906000      0.3366000    
 H    6.453400       1.301600      -1.795300    
 H    7.113100      0.4498000     -0.3741000    
 H    4.348700      0.4817000      -1.386400    
 H    7.077300       2.915900      3.3700000E-02
 H    5.932000       2.116600       1.133500    
 H    4.281700       2.594100     -0.3862000    


%chk=000056445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056445

0 1
O -2.482958 2.196538 1.526784
O -3.615557 -2.335938 -1.421975
O 3.427075 -1.251333 -0.893156
O 7.752386 1.135816 -1.992456
O 4.268062 1.702691 0.990043
N 2.064860 0.358449 0.205351
N 5.654231 0.107692 -0.046157
C -1.655549 0.309412 0.269202
C -1.948551 -0.861765 -0.491216
C -4.157467 0.725080 0.594174
C -4.447646 -0.446020 -0.167697
C -2.749111 1.154563 0.847702
C -3.353708 -1.291352 -0.743004
C -0.316926 0.691403 0.487394
C 0.744923 -0.080205 -0.044653
C -0.876974 -1.626396 -1.016070
C 0.459922 -1.253463 -0.804029
C -5.219408 1.500275 1.122780
C -5.795266 -0.821724 -0.388291
C -6.557134 1.119089 0.897982
C -6.845647 -0.044835 0.140494
C 3.256269 -0.201131 -0.199309
C 6.938491 0.719069 0.333256
C 4.449344 0.639755 0.310875
C 7.431394 1.754131 -0.700405
H -0.130245 1.597573 1.075977
H -1.121129 -2.521800 -1.596120
H 1.284330 -1.843128 -1.209951
H -4.968009 2.393288 1.703633
H -5.989151 -1.724449 -0.976109
H -7.374606 1.721223 1.308350
H -7.885902 -0.339903 -0.033232
H 2.203673 1.218075 0.761314
H 7.688927 -0.084348 0.431015
H 6.809477 1.215503 1.312602
H 5.617645 -0.771968 -0.574329
H 8.380350 2.191241 -0.348579
H 6.683562 2.565157 -0.808637
H 6.910724 0.889833 -2.453052


