%chk=000006950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006950

0 1
 O   0.4439000       2.545700     -0.2718000    
 O   -3.448600       1.477400      0.2080000    
 O   -1.935700       3.058800     -1.1000000E-02
 O  -5.6200001E-02  -3.703300     -3.7200000E-02
 O   -2.170200      -3.141200      0.1920000    
 N   -2.261700       1.851000      6.0199998E-02
 N  -0.9620000      -2.839800      4.3000001E-02
 C    2.516000      0.6163000     -0.4565000    
 C    1.055400      0.2393000     -0.2773000    
 C    3.417000      0.1299000      0.6969000    
 C    3.048600      8.7700002E-02  -1.793900    
 C   9.3900003E-02   1.228600     -0.1944000    
 C   0.7301000      -1.102200     -0.2018000    
 C    2.969800      0.6404000       2.061400    
 C   -1.242200      0.8634000     -2.9600000E-02
 C  -0.6059000      -1.467400     -3.7099998E-02
 C   -1.592100     -0.4847000      4.8999999E-02
 H    2.643800       1.703000     -0.4859000    
 H    4.443500      0.4743000      0.5173000    
 H    3.461400     -0.9655000      0.7271000    
 H    2.429300      0.4374000      -2.627700    
 H    4.070200      0.4442000      -1.967300    
 H    3.073400      -1.006600      -1.830200    
 H    1.509200      -1.856000     -0.2690000    
 H    3.696700      0.3474000       2.826000    
 H    2.896800       1.732600       2.067100    
 H    2.000300      0.2261000       2.353400    
 H   -2.632900     -0.7727000      0.1775000    
 H    1.052400       2.659900      -1.021000    


%chk=000006950-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006950

0 1
O 0.447131 2.508631 0.101773
O -3.299268 1.466138 1.074341
O -2.210557 2.969504 -0.256266
O -0.179267 -3.802380 -0.564018
O -2.347608 -3.207312 -0.166866
N -2.312196 1.825056 0.320041
N -1.099729 -2.924148 -0.333157
C 2.572152 0.523258 -0.551438
C 1.091400 0.169953 -0.365978
C 3.386980 0.254150 0.752826
C 3.201220 -0.217917 -1.759116
C 0.114329 1.179078 -0.079573
C 0.663044 -1.167309 -0.447481
C 2.980556 1.132830 1.953973
C -1.255864 0.811090 0.076000
C -0.692921 -1.504680 -0.253479
C -1.666953 -0.529071 0.014060
H 2.669173 1.610135 -0.779660
H 4.458920 0.412671 0.523903
H 3.275105 -0.815762 1.018243
H 2.614482 -0.062687 -2.681218
H 4.227214 0.151358 -1.934508
H 3.270790 -1.305280 -1.575982
H 1.369157 -1.973533 -0.662598
H 3.592055 0.888225 2.840137
H 3.136963 2.209215 1.741541
H 1.921824 0.985344 2.234076
H -2.713497 -0.801005 0.171366
H 1.429563 2.638446 0.056259


