%chk=000019326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019326

0 1
 O   0.8870000       1.109600      0.7972000    
 O  -0.3647000       1.293000      -1.182800    
 N    3.672700      0.9123000       1.147500    
 C    3.042000      0.4755000     -0.1046000    
 C    1.768200       1.264800     -0.3187000    
 C  -0.4275000       1.312700      0.2530000    
 C    3.998100      0.6643000      -1.290300    
 C   0.9350000      0.7805000      -1.480300    
 C   -1.331100      0.1841000      0.7331000    
 C    5.320400     -6.0600001E-02  -1.054800    
 C    5.918600      0.3403000      0.2892000    
 C    4.904900      0.1715000       1.418400    
 C  -0.9534000       2.671100      0.6988000    
 C  -0.8655000      -1.211900      0.3225000    
 C   -2.799600      0.4065000      0.3777000    
 C   -1.309200      -1.731700     -0.8732000    
 C   -3.767500     -0.1133000       1.208600    
 C  -1.8400000E-02  -1.900100       1.162300    
 C   -3.104500       1.119300     -0.7608000    
 C  -0.8839000      -3.006100      -1.248300    
 C   -5.108800      8.9800000E-02  0.8842000    
 C   0.4070000      -3.174400      0.7870000    
 C   -4.446000       1.322500      -1.085000    
 C  -2.5900001E-02  -3.727400     -0.4183000    
 C   -5.448100      0.8077000     -0.2624000    
 H    2.789600     -0.5887000     -6.0000003E-04
 H    1.975000       2.338900     -0.4204000    
 H    4.196100       1.732300      -1.451000    
 H    3.548900      0.2807000      -2.213400    
 H    1.272600       1.183300      -2.439500    
 H   0.9013000     -0.3079000      -1.560800    
 H   -1.288800      0.2083000       1.834600    
 H    6.023800      0.1683000      -1.862800    
 H    5.151200      -1.144300      -1.071500    
 H    3.021500      0.7792000       1.921000    
 H    6.807700     -0.2664000      0.4946000    
 H    6.248100       1.386100      0.2442000    
 H    4.679900     -0.8911000       1.571400    
 H    5.342800      0.5429000       2.351300    
 H  -0.1797000       3.431600      0.5307000    
 H   -1.831000       3.039000      0.1655000    
 H   -1.153400       2.685200       1.776200    
 H   -1.956500      -1.196200      -1.557100    
 H   -3.512200     -0.6743000       2.102400    
 H   0.3256000      -1.477500       2.101100    
 H   -2.415300       1.525400      -1.481000    
 H   -1.216000      -3.434700      -2.189300    
 H   -5.889100     -0.3118000       1.524200    
 H    1.076400      -3.735400       1.432400    
 H   -4.712300       1.874100      -1.982100    
 H   0.3068000      -4.718800     -0.7113000    
 H   -6.492400      0.9640000     -0.5160000    


%chk=000019326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019326

0 1
O 0.879462 1.164497 0.699954
O -0.347297 1.398458 -1.313233
N 3.679671 0.907369 1.152648
C 3.072315 0.466844 -0.124689
C 1.852270 1.345137 -0.415732
C -0.482224 1.404069 0.169333
C 4.129522 0.569038 -1.251611
C 1.020569 0.942109 -1.646714
C -1.377152 0.225111 0.690146
C 5.395145 -0.243309 -0.886601
C 5.949601 0.187729 0.492092
C 4.843224 0.092049 1.564172
C -0.971952 2.793040 0.591193
C -0.867505 -1.141011 0.203469
C -2.873379 0.427821 0.427476
C -1.280610 -1.703535 -1.030994
C -3.801193 0.081882 1.442931
C 0.057942 -1.864886 0.998926
C -3.375704 0.908010 -0.811464
C -0.771902 -2.949199 -1.463456
C -5.192651 0.209536 1.234887
C 0.564315 -3.113784 0.573212
C -4.766565 1.039767 -1.021054
C 0.152329 -3.661089 -0.663791
C -5.681952 0.689690 -0.001657
H 2.716993 -0.595225 -0.072773
H 2.157448 2.410571 -0.457573
H 4.400100 1.635022 -1.388222
H 3.702713 0.199220 -2.204596
H 1.316828 1.466147 -2.569220
H 1.033327 -0.154078 -1.799660
H -1.227495 0.252025 1.787992
H 6.166040 -0.120501 -1.670984
H 5.137908 -1.322701 -0.854408
H 2.962622 0.983899 1.886547
H 6.809332 -0.447187 0.780740
H 6.302618 1.235803 0.440587
H 4.579411 -0.988831 1.704121
H 5.214185 0.472357 2.533880
H -0.204375 3.542962 0.336190
H -1.908901 3.054015 0.074636
H -1.150135 2.822286 1.680171
H -2.006949 -1.171975 -1.652697
H -3.428779 -0.295543 2.403813
H 0.390532 -1.438254 1.952294
H -2.670934 1.190187 -1.601709
H -1.103954 -3.367878 -2.420591
H -5.891599 -0.062691 2.034037
H 1.274169 -3.658809 1.206194
H -5.135839 1.415902 -1.982281
H 0.539404 -4.631192 -0.996081
H -6.760549 0.791325 -0.167053


