%chk=000072184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072184

0 1
 O   -1.206200     -0.8613000      0.8261000    
 O    1.365400      -1.154500     -0.2233000    
 O   -4.806600       1.137300       1.114400    
 O   -2.666200       4.934300     -0.3520000    
 O    2.491600     -0.7435000      -2.204000    
 N   -2.630400      0.9178000      0.2972000    
 N   -2.781400      -3.481400      0.3035000    
 N   -3.727700       3.022800      0.3792000    
 N   -2.511500      -4.681200      0.1287000    
 N    5.730900      0.5970000      8.7399997E-02
 N   -2.270400      -5.785800     -2.2900000E-02
 C   -2.106600      -2.540400     -0.5998000    
 C  -0.8373000      -2.030900      7.1400002E-02
 C   -2.944700      -1.290700     -0.7331000    
 C   -2.554600     -0.4987000      0.5020000    
 C   0.2328000      -1.622600     -0.9336000    
 C   -1.528800       1.573500     -0.2435000    
 C   -3.793700       1.648200      0.6325000    
 C   -1.468900       2.888900     -0.4845000    
 C   -2.656400       3.721800     -0.1562000    
 C    2.420100     -0.7475000     -0.9855000    
 C  -0.2721000       3.569800      -1.066700    
 C    3.504000     -0.2965000     -0.1081000    
 C    3.314900     -0.3353000       1.387700    
 C    4.644400      0.1485000     -0.6615000    
 C    4.519200      0.1889000       2.135800    
 C    5.610100      0.6102000       1.474200    
 C    6.930100       1.111400     -0.5653000    
 H   -1.923900      -3.010600      -1.573600    
 H  -0.4117000      -2.751500      0.7794000    
 H   -2.660500     -0.7576000      -1.649100    
 H   -4.022800      -1.474800     -0.7831000    
 H   -3.185600     -0.7848000       1.352000    
 H  -0.1267000     -0.8370000      -1.606300    
 H   0.5205000      -2.493200      -1.535200    
 H  -0.6660000      0.9702000     -0.4879000    
 H   -4.553900       3.566100      0.6135000    
 H  -0.5315000       4.056900      -2.012300    
 H   0.5423000       2.865600      -1.267900    
 H   0.1089000       4.329600     -0.3766000    
 H    3.130000      -1.365500       1.714000    
 H    2.448300      0.2747000       1.669200    
 H    4.808700      0.1944000      -1.732300    
 H    4.487300      0.2227000       3.219700    
 H    6.477600      0.9931000       1.999600    
 H    7.121600      0.5925000      -1.511300    
 H    7.817200      0.9748000      6.3400000E-02
 H    6.815300       2.180300     -0.7737000    


%chk=000072184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072184

0 1
O -1.465305 -1.187876 0.999647
O 1.134148 -1.047357 -0.222900
O -4.812943 1.055990 -0.091544
O -2.131330 4.861799 -0.624451
O 2.309851 -0.933923 -2.249400
N -2.492001 0.844403 0.187003
N -3.001789 -3.739587 0.138784
N -3.427290 2.938820 -0.344857
N -2.439062 -4.855136 0.354494
N 5.570837 0.797187 -0.133768
N -2.087752 -5.947705 0.660800
C -2.266609 -2.708038 -0.671713
C -0.975464 -2.200929 0.028504
C -3.159985 -1.448464 -0.717701
C -2.712275 -0.611320 0.515183
C 0.015350 -1.623850 -0.989058
C -1.225689 1.435052 0.215088
C -3.662180 1.583610 -0.083249
C -1.016814 2.770144 -0.051830
C -2.172236 3.623856 -0.362408
C 2.286826 -0.718744 -1.004451
C 0.350422 3.408656 -0.029471
C 3.326938 -0.140941 -0.162033
C 3.129572 0.025112 1.346691
C 4.497350 0.239571 -0.795252
C 4.363861 0.653093 1.978274
C 5.473130 0.997650 1.271372
C 6.796714 1.209079 -0.836357
H -2.055154 -3.107348 -1.683271
H -0.474184 -2.969589 0.641062
H -2.990213 -0.884221 -1.649375
H -4.226647 -1.704260 -0.659432
H -3.452969 -0.647175 1.330106
H -0.439860 -0.836949 -1.620036
H 0.394302 -2.419305 -1.658548
H -0.411667 0.755710 0.481956
H -4.258341 3.503979 -0.547002
H 0.564576 3.903888 -0.993791
H 1.139307 2.662281 0.167334
H 0.404151 4.196891 0.743741
H 2.907827 -0.953843 1.819623
H 2.231345 0.642673 1.560225
H 4.594762 0.098270 -1.876473
H 4.358628 0.835033 3.058087
H 6.353261 1.447389 1.739218
H 6.715449 0.949269 -1.903518
H 7.680787 0.692054 -0.419315
H 6.953464 2.301100 -0.754389


