%chk=000043038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043038

0 1
 O   0.5926000      0.1495000       1.595600    
 O   -2.916900      -2.278000      -1.456800    
 O   -4.932700      -1.828500     -0.2150000    
 O    5.372400      -1.045900     -0.8957000    
 O  -0.5245000       3.215500      -1.828400    
 O   -1.357400       3.510500      0.1891000    
 N  -0.6236000       2.935300     -0.6261000    
 C  -0.3390000       1.110000       1.043900    
 C   -1.585000      0.3431000      0.7340000    
 C   0.1737000       1.861900     -0.1400000    
 C    2.168000      0.6019000     -0.2204000    
 C    1.763500     -9.4800003E-02  0.9260000    
 C    1.332900       1.666400     -0.7625000    
 C   -1.567700     -0.6249000     -0.2706000    
 C   -2.758400      0.6070000       1.459000    
 C   -2.741300      -1.306200     -0.5202000    
 C   -3.892500      -1.049500      0.1887000    
 C   -3.933500     -9.7400002E-02   1.186400    
 C    3.386200      0.2766000     -0.8289000    
 C    2.572600      -1.103600       1.455700    
 C    4.189400     -0.7342000     -0.2985000    
 C    3.783200      -1.423100      0.8426000    
 C   -4.307500      -2.604700      -1.257200    
 C    6.145300      -2.087000     -0.3008000    
 H  -0.5171000       1.814800       1.866100    
 H    1.701800       2.239600      -1.604900    
 H  -0.6748000     -0.8501000     -0.8431000    
 H   -2.767700       1.362200       2.241100    
 H   -4.842400      0.1021000       1.742400    
 H    3.717700      0.8083000      -1.718300    
 H    2.263100      -1.645500       2.345700    
 H    4.358600      -2.216900       1.306400    
 H   -4.384700      -3.666900     -0.9982000    
 H   -4.846700      -2.431100      -2.195600    
 H    6.467200      -1.821000      0.7119000    
 H    7.051700      -2.201700     -0.9041000    
 H    5.618400      -3.046700     -0.3304000    


%chk=000043038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043038

0 1
O 0.682507 0.821890 1.819857
O -2.670005 -2.133184 -1.723378
O -4.446141 -2.398058 -0.131071
O 4.994617 -1.444882 -1.001567
O -0.142839 3.936154 -1.762644
O -1.635816 3.706770 -0.039728
N -0.571697 3.344217 -0.693255
C -0.431029 1.499106 1.037502
C -1.529954 0.496206 0.718827
C 0.162961 2.194981 -0.171696
C 2.069705 0.673192 -0.218794
C 1.713552 0.217779 1.093075
C 1.314638 1.775730 -0.782848
C -1.485990 -0.295755 -0.467798
C -2.582184 0.330284 1.653741
C -2.510674 -1.222368 -0.648361
C -3.555254 -1.382502 0.288484
C -3.618995 -0.618393 1.456411
C 3.179030 0.088190 -0.879497
C 2.470815 -0.786380 1.723306
C 3.924354 -0.932098 -0.253272
C 3.571331 -1.365835 1.055178
C -3.993248 -2.772788 -1.500116
C 5.810469 -2.497020 -0.389808
H -0.809835 2.241429 1.757100
H 1.665165 2.295422 -1.681009
H -0.693439 -0.180061 -1.211091
H -2.599496 0.957107 2.551766
H -4.432254 -0.742032 2.175256
H 3.470974 0.420268 -1.880989
H 2.192470 -1.108459 2.730634
H 4.141937 -2.151705 1.558487
H -3.877337 -3.866327 -1.551628
H -4.716251 -2.376372 -2.236839
H 6.297362 -2.141382 0.539217
H 6.577418 -2.735296 -1.140824
H 5.208034 -3.400830 -0.173728


