%chk=000047789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047789

0 1
 O   -2.549800       2.594400      0.4633000    
 O   -6.573900      -1.899400      -1.181600    
 N    1.588000       2.305100     -0.3434000    
 N    3.584800      0.2865000     -3.0700000E-02
 C    1.827200       1.693300      0.9694000    
 C    2.847100       2.383800      -1.094400    
 C    2.392400      0.2783000      0.8223000    
 C    3.445200      0.9920000      -1.310900    
 C   0.9982000       3.634600     -0.1901000    
 C  -0.3489000       3.537700      0.5187000    
 C    4.496300     -0.7727000      4.0500000E-02
 C   -1.323500       2.657200     -0.2517000    
 C    4.072100      -2.073600      0.3779000    
 C    5.865600     -0.5710000     -0.2240000    
 C    4.980400      -3.129800      0.4480000    
 C    6.773900      -1.627400     -0.1540000    
 C   -3.293800       1.452500      0.3164000    
 C    6.331300      -2.906700      0.1821000    
 C   -5.611000      -2.106500     -0.1379000    
 C   -4.801600     -0.8643000      2.1199999E-02
 C   -4.104300       1.021800       1.360200    
 C   -3.229100      0.7369000     -0.8735000    
 C   -4.788900      -3.366800     -0.4814000    
 C   -4.861000     -0.1407000       1.212100    
 C   -3.985800     -0.4255000      -1.021700    
 C   -3.730900      -3.689800      0.5631000    
 H    2.518600       2.305700       1.564100    
 H   0.9076000       1.578100       1.549500    
 H    3.573800       3.017900     -0.5687000    
 H    2.669900       2.836200      -2.077700    
 H    1.629000     -0.3810000      0.3893000    
 H    2.636500     -9.7099997E-02   1.824100    
 H    4.411100       1.110600      -1.815400    
 H    2.801700      0.4038000      -1.978000    
 H    1.660000       4.305500      0.3725000    
 H   0.8425000       4.088200      -1.177000    
 H  -0.2726000       3.224500       1.565100    
 H  -0.7780000       4.547300      0.5794000    
 H   -1.509600       3.081800      -1.245300    
 H  -0.8887000       1.656700     -0.3603000    
 H    3.025500      -2.288500      0.5790000    
 H    6.236200      0.4202000     -0.4755000    
 H    4.635700      -4.126700      0.7069000    
 H    7.826300      -1.453400     -0.3584000    
 H    7.038600      -3.729100      0.2367000    
 H   -6.183000      -2.303400      0.7773000    
 H   -4.316900      -3.267400      -1.466500    
 H   -5.473800      -4.219300     -0.5743000    
 H   -4.152700       1.582400       2.289500    
 H   -2.631300       1.060400      -1.720000    
 H   -5.491300     -0.4694000       2.034100    
 H   -3.937300     -0.9676000      -1.962200    
 H   -4.179000      -3.790200       1.556800    
 H   -3.239900      -4.637000      0.3176000    
 H   -2.956400      -2.918500      0.6084000    
 H   -7.120200      -2.701900      -1.238600    


%chk=000047789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047789

0 1
O -2.390815 1.827887 0.880080
O -6.489792 -1.928125 -2.274560
N 1.881345 2.100254 -0.083683
N 4.283030 0.464322 -0.092042
C 2.417161 1.516478 1.169891
C 3.003856 2.392056 -1.009008
C 3.210546 0.226702 0.891744
C 3.784979 1.108726 -1.329316
C 1.038228 3.302679 0.148590
C -0.286289 2.997821 0.877715
C 5.387270 -0.425123 -0.151899
C -1.110615 1.930545 0.154520
C 5.462926 -1.585837 0.677949
C 6.491298 -0.164461 -1.022151
C 6.594643 -2.428648 0.645524
C 7.609684 -1.019391 -1.052992
C -3.337977 0.905105 0.405175
C 7.679076 -2.160129 -0.218041
C -6.474898 -1.881529 -0.794062
C -5.395608 -0.887980 -0.395329
C -4.563646 0.868510 1.114612
C -3.140767 0.051682 -0.710373
C -6.234879 -3.308071 -0.226865
C -5.579477 -0.018195 0.709574
C -4.168465 -0.836591 -1.096493
C -6.298680 -3.383217 1.312835
H 3.083589 2.245958 1.698047
H 1.580410 1.269720 1.847179
H 3.706753 3.147893 -0.573499
H 2.591179 2.806840 -1.947603
H 2.507707 -0.566229 0.543112
H 3.658848 -0.105353 1.843774
H 4.627431 1.358376 -1.992008
H 3.113207 0.411173 -1.880799
H 1.594471 4.087896 0.723099
H 0.809151 3.736164 -0.845109
H -0.108921 2.677630 1.920921
H -0.878630 3.930390 0.934512
H -1.298668 2.224614 -0.899546
H -0.589539 0.954025 0.156157
H 4.631885 -1.853935 1.336504
H 6.494125 0.726242 -1.658427
H 6.617799 -3.311868 1.294976
H 8.440999 -0.783656 -1.727924
H 8.552617 -2.819660 -0.243015
H -7.459422 -1.519512 -0.421285
H -5.250242 -3.662955 -0.587824
H -7.003110 -3.987825 -0.655318
H -4.699631 1.544651 1.964224
H -2.207427 0.075818 -1.280334
H -6.530621 -0.027521 1.256306
H -4.035744 -1.478534 -1.973209
H -7.282595 -3.045638 1.691202
H -6.142824 -4.419866 1.661696
H -5.522828 -2.747155 1.773765
H -7.089803 -2.664454 -2.558669


