%chk=000133885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133885

0 1
 O   -1.133600       1.063600      0.6028000    
 O   -3.737600      -1.299600     -9.9900000E-02
 O    2.678300       1.049900      -1.694100    
 O   -4.465900       1.340600       2.245200    
 O   -6.444300      0.5488000       3.024100    
 N   -1.620900     -0.1789000      -1.288000    
 N    4.244500       1.852200      0.8744000    
 N    1.412600      0.7244000      0.2342000    
 N   -4.916600      0.7022000     -0.2476000    
 C   -2.925300      0.4165000      -1.546900    
 C   -3.265900     -1.8000000E-03  -2.972500    
 C   -1.262200      -1.136100      -2.331400    
 C   -2.538700      -1.334400      -3.134700    
 C   0.5875000     -0.3473000     -0.2436000    
 C  -0.7956000      0.2531000     -0.2615000    
 C    3.089700       2.440800      0.1957000    
 C    3.649300       3.508600     -0.7399000    
 C    5.153100       3.475700     -0.5112000    
 C   -3.882800     -0.1668000     -0.5518000    
 C    5.286100       2.874700      0.8722000    
 C   0.6155000      -1.576500      0.6552000    
 C    2.395300       1.338100     -0.5342000    
 C    1.987600      -2.201100      0.7213000    
 C   -5.984300      0.3709000      0.6681000    
 C    2.349500      -3.188200     -0.1955000    
 C    2.894400      -1.791200       1.698900    
 C    3.617800      -3.765500     -0.1346000    
 C    4.162800      -2.368500       1.759700    
 C   -5.674800      0.7516000       2.092900    
 C    4.524400      -3.355700      0.8429000    
 H   -2.864200       1.504500      -1.433900    
 H   -4.339800     -9.1100000E-02  -3.162400    
 H   -2.850600      0.7248000      -3.681500    
 H  -0.8873000      -2.068900      -1.903100    
 H  -0.4832000     -0.6838000      -2.954900    
 H   -2.341800      -1.586800      -4.180400    
 H   -3.137500      -2.142700      -2.698700    
 H   0.9242000     -0.6081000      -1.249700    
 H    2.414300       2.904000      0.9244000    
 H    3.407700       3.379600      -1.799300    
 H    3.264900       4.490700     -0.4372000    
 H    5.605500       4.469100     -0.5827000    
 H    5.629300       2.827800      -1.257500    
 H    6.277900       2.448000       1.047400    
 H    5.086900       3.619700       1.650900    
 H    4.588700       1.055800      0.3352000    
 H    1.246300       1.063000       1.178000    
 H   0.2914000      -1.317000       1.672800    
 H  -0.1083000      -2.326100      0.3114000    
 H   -4.936500       1.622800     -0.6768000    
 H   -6.872200      0.9205000      0.3437000    
 H   -6.169700     -0.7066000      0.6280000    
 H    1.652300      -3.513700     -0.9631000    
 H    2.625400      -1.024200       2.420200    
 H    3.899900      -4.533500     -0.8490000    
 H    4.868900      -2.049000       2.520500    
 H    5.512100      -3.804900      0.8899000    
 H   -4.288300       1.578900       3.180000    


%chk=000133885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133885

0 1
O -1.488592 0.569505 0.998973
O -5.150492 -0.489930 -1.508184
O 1.792400 0.898466 -2.283165
O -5.956000 1.298899 1.960343
O -6.753991 -0.525609 3.156341
N -1.724833 0.100523 -1.264494
N 3.676744 1.999382 0.658675
N 1.391347 0.661491 0.005648
N -4.141811 -0.211107 0.579938
C -3.039160 0.816539 -1.360364
C -3.193711 1.076843 -2.871020
C -1.272088 -0.410978 -2.601636
C -2.482565 -0.135523 -3.524468
C 0.436702 -0.450042 -0.120070
C -1.006297 0.104827 -0.100715
C 3.070906 2.282511 -0.685546
C 4.263462 2.453232 -1.674424
C 5.423594 2.987234 -0.768547
C -4.213556 -0.030754 -0.784263
C 4.860547 2.912493 0.698738
C 0.620597 -1.465697 1.044746
C 2.035651 1.223195 -1.077265
C 2.036463 -2.016476 1.120892
C -5.181568 -0.921320 1.306875
C 2.484628 -2.992008 0.192927
C 2.948379 -1.547715 2.101331
C 3.808173 -3.483048 0.238250
C 4.274917 -2.035955 2.151351
C -6.036042 -0.066368 2.241461
C 4.710232 -3.004174 1.217406
H -2.967514 1.741802 -0.758687
H -4.256084 1.132523 -3.153752
H -2.689527 2.021998 -3.141274
H -1.037338 -1.489402 -2.544978
H -0.361728 0.132415 -2.914516
H -2.161827 0.064621 -4.559914
H -3.171373 -0.997778 -3.530798
H 0.653455 -0.935829 -1.085914
H 2.538502 3.253177 -0.600190
H 4.512836 1.477742 -2.126862
H 4.016085 3.141561 -2.498981
H 5.708051 4.021587 -1.031241
H 6.325492 2.359512 -0.879042
H 5.598508 2.545847 1.431915
H 4.519965 3.910607 1.030412
H 3.994830 1.013693 0.687054
H 1.634678 1.025328 0.934584
H 0.333768 -0.961503 1.985824
H -0.107363 -2.284830 0.888096
H -3.314998 0.185558 1.065329
H -5.860518 -1.372933 0.556366
H -4.769557 -1.744563 1.918327
H 1.791481 -3.375238 -0.567028
H 2.614748 -0.807826 2.839872
H 4.135068 -4.239289 -0.484299
H 4.962597 -1.669149 2.922008
H 5.736050 -3.387199 1.256507
H -6.556119 1.792035 2.583845


