%chk=000056740.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056740

0 1
 O    3.040100     -0.4471000      -1.453100    
 O   -4.577200     -5.4499999E-02  7.4000001E-02
 O    1.038800       3.132400     -0.6511000    
 O   -3.919800      -2.227900     -0.3046000    
 N    1.603600      0.9992000      0.2502000    
 N    4.356300      -1.465600      0.1631000    
 C    2.612000      0.1567000      0.8268000    
 C   0.2401000      0.4700000      0.1584000    
 C    3.343100     -0.6016000     -0.2670000    
 C  -0.7862000       1.350500      0.3124000    
 C   9.9900000E-02 -0.8639000     -7.2999999E-02
 C    1.848900       2.348100     -0.1504000    
 C   -2.289600     -0.5131000     -9.9999998E-03
 C   -2.083900      0.8462000      0.2260000    
 C   -1.197900      -1.368100     -0.1596000    
 C    3.246800       2.854700      0.1216000    
 C    5.148900      -2.266100     -0.7671000    
 C    4.695900      -1.631000       1.570900    
 C   -3.642700      -1.038800     -9.8999999E-02
 C   -5.951900     -0.4490000      9.1000004E-03
 C   -6.825000      0.7690000      0.2225000    
 H    3.333400      0.7538000       1.389100    
 H    2.160700     -0.5400000       1.541700    
 H  -0.6799000       2.394400      0.5776000    
 H   0.9184000      -1.559500     -0.2039000    
 H   -2.903800       1.545000      0.3669000    
 H   -1.336600      -2.430000     -0.3458000    
 H    3.364900       3.845700     -0.3287000    
 H    3.409200       2.950500       1.198200    
 H    3.997100       2.199000     -0.3259000    
 H    5.010900      -3.324500     -0.5282000    
 H    6.202500      -1.993100     -0.6586000    
 H    4.837800      -2.088900      -1.799600    
 H    3.819000      -1.992000       2.115200    
 H    5.510100      -2.351800       1.691200    
 H    5.009900     -0.6682000       1.983300    
 H   -6.158400     -0.8868000     -0.9738000    
 H   -6.153900      -1.192400      0.7880000    
 H   -6.619300       1.528600     -0.5389000    
 H   -6.614800       1.228100       1.194100    
 H   -7.884900      0.5031000      0.1792000    


%chk=000056740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056740

0 1
O 3.452586 -0.073736 -1.452715
O -4.622639 -0.102694 0.103430
O 1.195353 3.336313 -0.649537
O -3.797316 -2.271841 -0.124868
N 1.702592 1.260718 0.326712
N 4.242818 -1.523528 0.195448
C 2.737630 0.360545 0.862947
C 0.370448 0.727936 0.207968
C 3.500116 -0.431816 -0.236859
C -0.779868 1.560146 0.310129
C 0.190137 -0.672750 0.026108
C 2.051742 2.549452 -0.157701
C -2.244326 -0.399661 0.076099
C -2.066922 0.997897 0.243633
C -1.099079 -1.226940 -0.035606
C 3.519800 2.954334 -0.052901
C 4.949386 -2.348237 -0.803868
C 4.321078 -1.975771 1.596509
C -3.585384 -1.037837 0.005690
C -6.005711 -0.659187 0.035386
C -6.962340 0.519251 0.185709
H 3.472001 0.950173 1.440031
H 2.253513 -0.328128 1.575343
H -0.658849 2.636618 0.425973
H 1.053272 -1.330481 -0.111941
H -2.947874 1.640065 0.327883
H -1.241118 -2.302281 -0.184970
H 3.610179 3.950866 -0.508609
H 3.863395 3.020209 0.996862
H 4.167658 2.249266 -0.600781
H 4.586552 -3.393058 -0.770451
H 6.039146 -2.342949 -0.613657
H 4.752284 -1.926177 -1.800739
H 3.537717 -2.722373 1.837399
H 5.304702 -2.447471 1.766076
H 4.235461 -1.134008 2.301562
H -6.123258 -1.180161 -0.932292
H -6.121645 -1.406456 0.841528
H -6.812213 1.254806 -0.623029
H -6.811406 1.028989 1.152750
H -8.007122 0.161059 0.140547


