%chk=000006715.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006715

0 1
 O    2.073900       1.467400       1.048100    
 O   -3.053700      0.7912000     -0.2466000    
 O   -3.193200      -1.588800      9.9799998E-02
 O  -0.5750000       2.204400     -0.4388000    
 N    3.006500     -0.1552000     -0.5150000    
 C    1.910200      0.7797000     -0.1956000    
 C   0.5592000      9.4499998E-02 -0.1359000    
 C   0.4745000      -1.303900      8.2599998E-02
 C    1.728700      -2.137000      0.1614000    
 C    2.994400      -1.306800      0.3920000    
 C  -0.6143000      0.8593000     -0.2489000    
 C  -0.7781000      -1.932400      0.1627000    
 C   -1.827000      0.2085000     -0.1570000    
 C   -1.906600      -1.148600      4.2700000E-02
 C    4.311200      0.5007000     -0.5221000    
 C   -3.914900     -0.3539000     -8.3700001E-02
 C   -1.195800       3.020900      0.5545000    
 H    1.872100       1.532500     -0.9934000    
 H    1.636100      -2.870900      0.9708000    
 H    1.825100      -2.690500     -0.7816000    
 H    3.053000     -0.9835000       1.439800    
 H    3.860900      -1.954200      0.2083000    
 H  -0.8586000      -3.004200      0.3117000    
 H    4.618300      0.8382000      0.4739000    
 H    4.307600       1.364100      -1.196600    
 H    5.078500     -0.1857000     -0.8975000    
 H    2.816200       2.085500      0.9428000    
 H   -4.548200     -0.4463000     -0.9735000    
 H   -4.556400     -0.1890000      0.7895000    
 H   -1.111700       2.580100       1.553800    
 H   -2.245300       3.191800      0.2996000    
 H  -0.6852000       3.988200      0.5623000    


%chk=000006715-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006715

0 1
O 2.339477 1.373247 1.291957
O -3.028242 0.848324 0.487359
O -3.210023 -1.528751 0.353505
O -0.224679 2.257789 0.325423
N 3.083808 -0.168225 -0.412867
C 2.024207 0.736269 -0.050126
C 0.667555 0.044403 0.030952
C 0.536452 -1.365770 -0.005333
C 1.782373 -2.229167 -0.141209
C 3.043788 -1.465486 0.299380
C -0.482942 0.881739 0.189795
C -0.745993 -1.979914 0.073666
C -1.741051 0.264888 0.253565
C -1.850847 -1.139831 0.186945
C 4.415108 0.456674 -0.518093
C -3.975935 -0.267912 0.232207
C -1.328242 3.211277 0.097457
H 1.983529 1.563031 -0.788285
H 1.666250 -3.154305 0.455083
H 1.906131 -2.531595 -1.200200
H 3.051986 -1.327028 1.404295
H 3.947444 -2.037994 0.022780
H -0.857565 -3.067101 0.053569
H 4.840896 0.744571 0.466523
H 4.340342 1.371289 -1.134063
H 5.108301 -0.241782 -1.021501
H 1.642260 2.067731 1.436393
H -4.368845 -0.179792 -0.800547
H -4.763213 -0.247443 0.999470
H -2.123222 3.085486 0.850545
H -1.752369 3.076440 -0.913873
H -0.864338 4.205036 0.185325


