%chk=000126268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126268

0 1
 O   -4.018900     -0.5477000      -1.707400    
 O   -2.024000       2.333300      0.3742000    
 O   -5.190100      -2.382100      -2.496100    
 O    2.159700      0.4258000     -0.7446000    
 O    2.301800     -0.4556000       1.408700    
 N    8.412800      0.5964000     -0.1508000    
 N    10.54380     -0.3591000     -0.1845000    
 N    8.780700      -1.764300      0.1694000    
 C   -3.502000     -5.4200001E-02 -0.4309000    
 C   -3.926300      -1.139700      0.5050000    
 C   -1.995600      7.0400000E-02 -0.5469000    
 C   -4.167000       1.275400     -0.1339000    
 C   -4.605200      -2.121900     -0.1937000    
 C   -1.356000       1.240800     -0.1232000    
 C   -3.392800       2.371400      0.2635000    
 C   -4.667200      -1.751600      -1.599200    
 C   -3.734200      -1.263600       1.872100    
 C   -1.203800     -0.9792000      -1.045300    
 C   -5.561200       1.438700     -0.2164000    
 C   -5.117900      -3.253200      0.4138000    
 C   3.6699999E-02   1.357800     -0.1845000    
 C   -3.993100       3.594700      0.5799000    
 C   0.1855000     -0.8597000      -1.113300    
 C   -4.241100      -2.397100       2.514500    
 C   0.8057000      0.3084000     -0.6807000    
 C   -6.159600       2.661400      9.3000002E-02
 C   -4.928300      -3.385200       1.789700    
 C   -5.375400       3.738900      0.4929000    
 C    2.830200     -1.0500000E-02  0.4009000    
 C    4.299200      0.1488000      0.2557000    
 C    5.057500      0.3968000       1.381400    
 C    4.860400      4.4000000E-02  -1.000500    
 C    6.437500      0.5469000       1.245000    
 C    6.240500      0.1939000      -1.137100    
 C    7.029200      0.4453000     -1.4200000E-02
 C    9.178800     -0.4643000     -5.6299999E-02
 H   -3.204400     -0.5041000       2.437200    
 H   -1.660800      -1.906500      -1.381700    
 H   -6.199100      0.6116000     -0.5176000    
 H   -5.647600      -4.013500     -0.1486000    
 H   0.5208000       2.272000      0.1510000    
 H   -3.385800       4.440700      0.8913000    
 H   0.7764000      -1.684600      -1.502200    
 H   -4.102800      -2.516400       3.585700    
 H   -7.238100       2.769700      2.5000000E-02
 H   -5.314900      -4.259000       2.307000    
 H   -5.839900       4.689800      0.7363000    
 H    4.608100      0.4814000       2.366400    
 H    4.269400     -0.1642000      -1.887300    
 H    7.043400      0.7440000       2.125600    
 H    6.692600      0.1107000      -2.122000    
 H    10.98630      0.5377000     -0.3537000    
 H    11.14720      -1.170900     -0.1127000    
 H    9.458900      -2.516400      0.2260000    
 H    7.806000      -2.017400      0.2875000    


%chk=000126268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126268

0 1
O -3.826006 -0.793660 -1.652163
O -1.906947 2.306822 -0.580155
O -4.976224 -2.660723 -2.464285
O 2.180567 0.049933 0.165699
O 2.768023 -2.109733 0.926410
N 8.536878 0.850442 0.123239
N 10.837557 0.714545 -0.158425
N 9.520708 -1.055078 -0.993979
C -3.563845 -0.129164 -0.259634
C -4.314352 -1.071949 0.679195
C -2.062762 -0.111419 -0.059008
C -4.145854 1.270409 -0.337870
C -4.919276 -2.115897 -0.047351
C -1.310038 1.069523 -0.274652
C -3.311328 2.396531 -0.539643
C -4.626099 -1.955920 -1.499421
C -4.446010 -1.004295 2.077921
C -1.342978 -1.287195 0.267209
C -5.547104 1.487242 -0.294880
C -5.673601 -3.124709 0.585001
C 0.093101 1.084308 -0.184617
C -3.839490 3.695499 -0.705969
C 0.058672 -1.312631 0.371208
C -5.201097 -2.011552 2.726315
C 0.773073 -0.106891 0.133070
C -6.092628 2.773680 -0.455793
C -5.810402 -3.062559 1.989749
C -5.232858 3.882043 -0.666789
C 3.110627 -0.964520 0.545544
C 4.494883 -0.468855 0.423486
C 5.551265 -1.349748 0.786977
C 4.819982 0.843142 -0.027140
C 6.891093 -0.949088 0.680838
C 6.157100 1.250354 -0.127696
C 7.229472 0.363038 0.203574
C 9.575075 0.164076 -0.322560
H -3.977183 -0.197819 2.651152
H -1.898075 -2.216019 0.436083
H -6.211162 0.629095 -0.144848
H -6.130750 -3.923684 -0.007630
H 0.645387 2.010313 -0.358110
H -3.148445 4.529128 -0.860583
H 0.589733 -2.228575 0.625795
H -5.317178 -1.981588 3.815353
H -7.177358 2.916805 -0.425314
H -6.387783 -3.828211 2.518823
H -5.649734 4.886318 -0.796923
H 5.292818 -2.347676 1.157873
H 4.012310 1.528982 -0.295815
H 7.688230 -1.625074 1.011857
H 6.415395 2.258951 -0.464476
H 10.884934 1.613436 0.313883
H 11.687327 0.272105 -0.494405
H 10.338179 -1.475380 -1.428262
H 8.610175 -1.472409 -1.174459


