%chk=000052410.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052410

0 1
 O    4.290200     -0.6412000      0.4016000    
 O    5.986600      0.9193000      -2.354000    
 O    5.367200      -1.242200      -2.010300    
 N   -1.141200     -0.1486000       1.489300    
 N   -4.487000      0.2880000     -0.9974000    
 C   -2.275900     -3.9999999E-04  0.6461000    
 C   -2.708700       1.279400      0.2847000    
 C   -2.949500      -1.135900      0.1848000    
 C   -3.834500       1.378400     -0.5504000    
 C   -4.065800     -0.9424000     -0.6464000    
 C   0.2271000     -0.2730000       1.215600    
 C   -2.050600       2.437700      0.7335000    
 C   -2.536300      -2.434000      0.5319000    
 C    4.912400      0.4329000     -0.3020000    
 C   -4.270300       2.649900     -0.9137000    
 C   -4.740800      -2.069000      -1.108900    
 C    6.021500       1.029700      0.5660000    
 C    2.961100     -0.5197000      0.6680000    
 C    1.147900     -0.4074000       2.260900    
 C   0.6870000     -0.2633000     -0.1063000    
 C   -2.506400       3.697200      0.3558000    
 C   -3.228500      -3.543700      5.6299999E-02
 C    2.510400     -0.5302000       1.988100    
 C    2.049400     -0.3862000     -0.3792000    
 C   -3.618600       3.803100     -0.4695000    
 C   -4.333000      -3.360400     -0.7659000    
 C    7.164600      6.2500000E-02  0.8534000    
 C    5.421700     -8.0799997E-02  -1.631800    
 H   -1.385300     -0.1679000       2.475100    
 H   -1.181000       2.391100       1.383700    
 H   -1.679900      -2.613100       1.176600    
 H    4.186000       1.227700     -0.5213000    
 H   -5.139600       2.759400      -1.559600    
 H   -5.609300      -1.951600      -1.754500    
 H    5.594000       1.344300       1.525800    
 H    6.433700       1.924700      8.5299999E-02
 H   0.8118000     -0.4170000       3.294900    
 H  -3.9999999E-04 -0.1627000     -0.9422000    
 H   -1.997200       4.590300      0.7046000    
 H   -2.908100      -4.545200      0.3266000    
 H    3.216300     -0.6335000       2.807700    
 H    2.383700     -0.3863000      -1.413000    
 H   -3.982800       4.781200     -0.7699000    
 H   -4.880400      -4.219500      -1.142300    
 H    7.899300      0.5375000       1.511600    
 H    7.682200     -0.2314000     -6.4700000E-02
 H    6.803300     -0.8425000       1.351700    
 H    6.335700      0.5983000      -3.212700    


%chk=000052410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052410

0 1
O 4.405990 0.449613 1.086473
O 5.267854 0.513874 -2.465070
O 5.121217 -1.344595 -1.069548
N -1.123101 -0.788997 1.332420
N -4.534631 0.296182 -1.065462
C -2.204024 -0.403783 0.514608
C -2.462900 0.965253 0.166053
C -3.128174 -1.414314 0.077798
C -3.634311 1.248730 -0.660000
C -4.299451 -0.999711 -0.686191
C 0.248511 -0.422218 1.219406
C -1.676932 2.073774 0.638798
C -2.941225 -2.817366 0.336144
C 5.040705 0.969983 -0.120794
C -3.901905 2.610656 -1.044404
C -5.256235 -1.997035 -1.088832
C 6.453406 1.453456 0.287923
C 3.021206 0.173676 1.049161
C 1.107653 -0.637693 2.332880
C 0.802244 0.092843 0.020461
C -1.982034 3.380734 0.265821
C -3.883973 -3.757035 -0.077498
C 2.480722 -0.352008 2.245999
C 2.176736 0.399817 -0.064285
C -3.094126 3.652626 -0.601614
C -5.062617 -3.340860 -0.784070
C 7.360838 0.340909 0.850859
C 5.126871 -0.108907 -1.212141
H -1.304758 -1.580765 1.952388
H -0.832644 1.888231 1.307432
H -2.026516 -3.166778 0.829297
H 4.467423 1.827651 -0.525633
H -4.775531 2.780281 -1.681199
H -6.130072 -1.646649 -1.646639
H 6.308563 2.243828 1.047872
H 6.916289 1.927756 -0.597867
H 0.694244 -1.025749 3.271480
H 0.163093 0.245426 -0.854206
H -1.374542 4.210470 0.643520
H -3.718510 -4.821796 0.119830
H 3.148430 -0.522974 3.095456
H 2.564968 0.791854 -1.009595
H -3.312629 4.685060 -0.896201
H -5.797788 -4.089951 -1.098085
H 8.325182 0.767389 1.179438
H 7.573095 -0.437961 0.096766
H 6.883295 -0.149767 1.715201
H 5.382097 -0.179661 -3.170546


