%chk=000128871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128871

0 1
 O   0.1212000     -0.6292000       1.673500    
 O   -3.752700       2.233200      0.7615000    
 O   -3.430300       1.644600      -1.406600    
 O    4.723900      -1.513100     -0.4027000    
 O   -3.886500      -1.769900      0.6118000    
 N   -2.173400     -0.6487000     -0.4969000    
 N    2.153400      -1.956800      0.6112000    
 C   -2.138400      0.5309000      0.3325000    
 C  -0.7558000       1.185000      0.3443000    
 C   0.3403000      0.2534000      0.8470000    
 C    1.724800      0.4227000      0.3143000    
 C    2.566000     -0.6628000      0.2162000    
 C   -3.169100       1.496300     -0.2198000    
 C    2.105100       1.692200     -6.4400002E-02
 C    3.853300     -0.4707000     -0.2857000    
 C   -3.048800      -1.701700     -0.2839000    
 C    3.392200       1.884400     -0.5663000    
 C    4.266200      0.8030000     -0.6771000    
 C   -2.891300      -2.792800      -1.308700    
 H   -2.439400      0.2380000       1.345500    
 H  -0.7671000       2.074300      0.9853000    
 H  -0.5165000       1.507100     -0.6769000    
 H   -1.572800     -0.6715000      -1.316500    
 H    1.456200       2.556700      2.9800000E-02
 H    3.716000       2.876800     -0.8663000    
 H    5.267800      0.9600000      -1.067900    
 H    2.712100      -2.773000      0.4114000    
 H    1.213400      -2.102700      0.9538000    
 H   -3.402900      -3.696300     -0.9656000    
 H   -3.329200      -2.467300      -2.256200    
 H   -1.833000      -3.026400      -1.457400    
 H   -4.403000       2.872700      0.4003000    
 H    4.393700      -2.278600      9.1799997E-02


%chk=000128871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128871

0 1
O -0.024599 -1.021005 1.154008
O -3.051105 2.375138 1.299603
O -4.173724 1.686032 -0.615158
O 5.135159 -1.290673 0.499362
O -3.533115 -2.048575 0.606634
N -2.483381 -0.569097 -0.850436
N 2.479239 -1.842573 1.156501
C -2.191660 0.407639 0.193608
C -0.772416 1.009229 0.051510
C 0.319104 0.012297 0.477836
C 1.725940 0.284820 0.131438
C 2.753957 -0.666390 0.492252
C -3.249814 1.519377 0.206212
C 2.107832 1.466091 -0.580270
C 4.116274 -0.360983 0.151886
C -3.174931 -1.745365 -0.568544
C 3.438644 1.713547 -0.940225
C 4.452421 0.788390 -0.564865
C -3.459457 -2.637782 -1.771666
H -2.256627 -0.138683 1.154930
H -0.694840 1.904718 0.698099
H -0.607790 1.349413 -0.988119
H -2.336487 -0.300333 -1.824477
H 1.343762 2.201362 -0.849326
H 3.705879 2.618925 -1.492911
H 5.504529 0.961631 -0.811721
H 3.182358 -2.579712 1.178952
H 1.493819 -2.011643 1.405947
H -3.048250 -3.642752 -1.576514
H -4.551510 -2.745835 -1.889238
H -3.034596 -2.255331 -2.715952
H -3.764038 3.069341 1.311341
H 5.144821 -1.441418 1.480603


