%chk=000092208.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092208

0 1
 O    3.962100      0.6028000      0.9926000    
 O    4.856100      -1.869700     -0.8461000    
 O    5.817300      0.3658000      -2.075200    
 O    5.673300       2.761500       1.615500    
 N    1.852600     -0.2197000      0.2797000    
 N  -2.0800000E-02  0.9640000      2.0900000E-02
 N   0.9032000      -2.432600      0.6024000    
 N   -2.758800     -0.3536000      0.1313000    
 N   -1.534700      -2.375800      0.5043000    
 C    3.950700     -0.7746000     -0.9727000    
 C    3.283300     -0.5137000      0.3787000    
 C    4.691300      0.5225000      -1.238600    
 C    5.076500      0.9671000      0.1616000    
 C    5.334900       2.459000      0.2734000    
 C   0.8217000      -1.111100      0.3860000    
 C    1.294400       1.013200      6.1299998E-02
 C  -0.3298000     -0.3577000      0.2224000    
 C   -1.541300      -1.038400      0.2878000    
 C  -0.3306000      -2.980900      0.6461000    
 C   -4.034300      -1.003700      0.1893000    
 C   -5.141400     -1.4800000E-02 -4.9600001E-02
 C   -5.705200      0.6570000       1.027400    
 C   -5.587300      0.2146000      -1.344900    
 C   -6.732200       1.574600      0.8052000    
 C   -6.614400       1.132000      -1.566900    
 C   -7.186800       1.812400     -0.4920000    
 H    3.253800      -1.024800      -1.779100    
 H    3.382800      -1.364500       1.062700    
 H    4.002200       1.242600      -1.696900    
 H    5.953100      0.4181000      0.5295000    
 H    4.445400       3.042500      1.4600000E-02
 H    6.162300       2.771900     -0.3696000    
 H    4.328300      -2.659600     -0.6376000    
 H    6.249900       1.232600      -2.154800    
 H    1.887600       1.908500     -6.5399997E-02
 H    4.931500       2.477200       2.176600    
 H   -2.706800      0.6475000     -2.5300000E-02
 H  -0.3631000      -4.051500      0.8178000    
 H   -4.176200      -1.484100       1.165900    
 H   -4.093200      -1.804200     -0.5595000    
 H   -5.357400      0.4810000       2.041400    
 H   -5.147100     -0.3080000      -2.189600    
 H   -7.177500       2.104500       1.642300    
 H   -6.968000       1.317400      -2.577000    
 H   -7.986100       2.527100     -0.6650000    


%chk=000092208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092208

0 1
O 3.694613 1.356449 0.488585
O 5.425076 -1.152552 1.436304
O 5.799084 -1.057629 -1.183270
O 3.918853 3.132336 -1.737093
N 1.951304 -0.015620 1.433367
N -0.145415 0.143066 2.365192
N 1.311996 -0.923599 -0.809255
N -2.625513 -0.710117 0.760283
N -1.120261 -1.234312 -1.008957
C 4.173398 -1.013292 0.701491
C 3.403208 0.177470 1.321059
C 4.469835 -0.571594 -0.768035
C 4.511868 0.967820 -0.702191
C 3.900419 1.679221 -1.912075
C 1.052063 -0.469478 0.455995
C 1.169171 0.345321 2.547832
C -0.230192 -0.367253 1.056046
C -1.350981 -0.775218 0.269216
C 0.165510 -1.281609 -1.464452
C -3.823960 -1.114553 0.007199
C -4.852917 0.005616 -0.113924
C -6.219011 -0.242944 0.164361
C -4.462214 1.302698 -0.535170
C -7.182458 0.781783 0.017878
C -5.421418 2.328168 -0.679089
C -6.785933 2.070886 -0.404200
H 3.591349 -1.952221 0.750500
H 3.785566 0.361411 2.340013
H 3.663754 -0.929463 -1.431196
H 5.549185 1.312228 -0.531001
H 2.867798 1.303530 -2.071765
H 4.508414 1.481324 -2.811465
H 6.138388 -1.276931 0.745857
H 5.703835 -1.876304 -1.729609
H 1.620630 0.745896 3.453348
H 3.470581 3.330309 -0.874358
H -2.733755 -0.338072 1.707142
H 0.291290 -1.652797 -2.486263
H -4.288339 -1.997851 0.488281
H -3.461394 -1.430104 -0.987948
H -6.531672 -1.241165 0.496526
H -3.406043 1.504144 -0.749240
H -8.236220 0.575993 0.237006
H -5.108226 3.325934 -1.006544
H -7.529970 2.867477 -0.515481


