%chk=000002472.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002472

0 1
 O   -3.958600      -2.004200       1.041400    
 O    4.547800      -2.266400       1.274600    
 O    5.731400     -0.6166000     -0.6223000    
 N   -4.156000      0.2814000      0.6778000    
 N   -1.495700       1.506900      0.8708000    
 N   0.5170000      0.2548000       1.000700    
 N   0.3421000       2.144900     -0.4839000    
 N    2.161300       2.785400      -1.831700    
 C   -3.250500       2.101900     -0.7618000    
 C   -4.491300       1.421000     -0.1830000    
 C   -2.288000       2.609000      0.3160000    
 C   -3.579600      0.6173000       1.981100    
 C   -2.050500      0.6723000       1.946100    
 C   -4.245900      -1.060000      0.3009000    
 C  -0.1769000       1.298300      0.4502000    
 C   -4.726100      -1.338200      -1.101200    
 C   -4.769400      -2.834200      -1.358800    
 C    1.784500      4.8799999E-02  0.6016000    
 C    2.395000      0.8749000     -0.3562000    
 C    1.613100       1.910100     -0.8611000    
 C   -5.186900      -3.177600      -2.781900    
 C    2.535500     -0.9984000       1.130100    
 C    3.720800      0.6499000     -0.7660000    
 C    3.854500      -1.228800      0.7278000    
 C    4.448100     -0.4039000     -0.2212000    
 C    4.461900      -3.525100      0.6096000    
 C    6.262400      0.2767000      -1.599800    
 H   -3.584200       2.955800      -1.363600    
 H   -2.729300       1.414800      -1.439600    
 H   -5.074100       2.132900      0.4139000    
 H   -5.139500       1.112600      -1.005900    
 H   -1.647500       3.384900     -0.1194000    
 H   -2.836200       3.122700       1.115200    
 H   -3.883600     -0.1459000       2.707700    
 H   -4.006800       1.563600       2.331200    
 H   -1.679500       1.034600       2.912100    
 H   -1.698600     -0.3610000       1.831600    
 H   -4.049800     -0.8535000      -1.813400    
 H   -5.733800     -0.9274000      -1.224500    
 H   -5.466700      -3.315900     -0.6619000    
 H   -3.783000      -3.278000      -1.174100    
 H   -4.486600      -2.752300      -3.507800    
 H   -6.186700      -2.789000      -2.999800    
 H   -5.205100      -4.263000      -2.921200    
 H    2.087100      -1.654100       1.875100    
 H    4.155400       1.318800      -1.497600    
 H    2.774600       2.398300      -2.537900    
 H    1.552700       3.537800      -2.133700    
 H    4.847300      -3.448500     -0.4120000    
 H    3.426900      -3.881200      0.5953000    
 H    5.072100      -4.246000       1.160400    
 H    5.718100      0.2089000      -2.548000    
 H    7.290100     -4.3099999E-02  -1.802000    
 H    6.319400       1.302900      -1.221100    


%chk=000002472-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002472

0 1
O -4.061907 -1.977923 1.065254
O 4.547972 -2.273809 1.471145
O 5.778016 -0.781961 -0.587765
N -4.211137 0.292546 0.624345
N -1.504327 1.515259 0.933477
N 0.489911 0.278223 1.100934
N 0.267119 2.103100 -0.517642
N 1.966006 2.735981 -1.963999
C -3.269571 2.215359 -0.736053
C -4.521422 1.460237 -0.226702
C -2.284068 2.639090 0.384456
C -3.624250 0.583950 1.950774
C -2.081931 0.609980 1.953637
C -4.375261 -1.043617 0.259104
C -0.204954 1.280769 0.499894
C -4.948729 -1.340534 -1.137318
C -5.012574 -2.853584 -1.429681
C 1.773763 0.056808 0.632684
C 2.370648 0.843701 -0.419010
C 1.525996 1.894756 -0.959266
C -5.575575 -3.148830 -2.835431
C 2.545053 -0.999997 1.206973
C 3.703360 0.565277 -0.847382
C 3.845388 -1.274360 0.781550
C 4.444600 -0.468317 -0.260681
C 5.172286 -3.354993 0.678729
C 6.447496 0.070614 -1.569232
H -3.616170 3.125217 -1.268318
H -2.714497 1.598297 -1.466631
H -5.142073 2.161536 0.370792
H -5.137320 1.138653 -1.081354
H -1.561789 3.357864 -0.032269
H -2.831353 3.141396 1.206985
H -3.934444 -0.215355 2.646250
H -4.047640 1.541697 2.307377
H -1.733178 0.895328 2.969075
H -1.695194 -0.404127 1.763890
H -4.329196 -0.837802 -1.908155
H -5.965990 -0.904429 -1.223275
H -5.629092 -3.344916 -0.655375
H -4.000155 -3.283743 -1.321941
H -4.948373 -2.691903 -3.625006
H -6.602524 -2.751273 -2.950904
H -5.614480 -4.236815 -3.026253
H 2.103218 -1.605811 2.001565
H 4.166408 1.169568 -1.634331
H 2.894024 2.666265 -2.366895
H 1.322050 3.450503 -2.296281
H 5.934837 -2.954265 -0.008370
H 4.398303 -3.907658 0.111818
H 5.632704 -4.019578 1.425312
H 5.956066 0.009525 -2.560794
H 7.472843 -0.320935 -1.640608
H 6.473806 1.124934 -1.230296


