%chk=000131256.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131256

0 1
 O  -0.8027000      -4.790900     -0.4735000    
 O  -0.8752000     -2.9000000E-03 -0.1321000    
 O    1.208000       1.642900     -0.7265000    
 O   -4.602800       1.438600      0.6376000    
 N   -1.598600      -2.183100      0.1837000    
 N    5.280400     -7.4600004E-02 -0.6777000    
 C  -0.2601000      -2.654700      0.5394000    
 C   -2.598100      -3.240600      3.2000002E-02
 C   0.1681000      -3.741800     -0.4392000    
 C   -2.067900      -4.301700     -0.9251000    
 C   -1.927500     -0.8595000      0.1703000    
 C   -1.106400       1.348700     -0.1698000    
 C   -3.171600     -0.4242000      0.4307000    
 C   -2.355800       1.910600      8.1900001E-02
 C   -3.478100       1.018800      0.4039000    
 C  -2.2399999E-02   2.171600     -0.4772000    
 C   -2.533400       3.295000      2.8800000E-02
 C  -0.1944000       3.555200     -0.5314000    
 C   -1.447400       4.115500     -0.2790000    
 C    2.273300       2.047900      0.1310000    
 C    3.287900      0.9448000      0.2062000    
 C    3.188300     -3.7400000E-02   1.175800    
 C    4.334500      0.8912000     -0.6898000    
 C    4.142500      -1.047900       1.220400    
 C    5.159300      -1.021500      0.2796000    
 H  -0.3000000      -3.066300       1.555400    
 H   0.4891000      -1.856000      0.5410000    
 H   -3.548900      -2.881900     -0.3759000    
 H   -2.793800      -3.683900       1.015800    
 H   0.3040000      -3.339800      -1.450400    
 H    1.121000      -4.177100     -0.1220000    
 H   -2.759500      -5.149100     -0.9665000    
 H   -1.961200      -3.907100      -1.942800    
 H   -3.995900      -1.076600      0.6940000    
 H   -3.501300       3.748500      0.2221000    
 H   0.6369000       4.210200     -0.7779000    
 H   -1.578100       5.192900     -0.3242000    
 H    1.906700       2.280900       1.140100    
 H    2.733500       2.959100     -0.2703000    
 H    2.376700     -3.3100002E-02   1.897600    
 H    4.456200       1.635800      -1.470000    
 H    4.090800      -1.832100       1.966900    
 H    5.927900      -1.787200      0.2713000    


%chk=000131256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131256

0 1
O -1.077010 -5.002175 -0.467242
O -1.050161 -0.130619 0.073304
O 1.189520 1.297088 0.013803
O -4.876959 1.553247 0.125129
N -1.837505 -2.279325 0.077756
N 5.878680 0.436123 -0.433373
C -0.451416 -2.741509 0.344527
C -2.855682 -3.350324 0.096289
C -0.098976 -3.907571 -0.594002
C -2.413999 -4.507661 -0.823389
C -2.189910 -0.944993 0.111105
C -1.205536 1.269111 0.033528
C -3.469894 -0.400515 0.153823
C -2.475998 1.880972 0.028828
C -3.709301 1.031395 0.100601
C -0.005180 2.031106 -0.010149
C -2.556197 3.295813 -0.030241
C -0.105560 3.437797 -0.077299
C -1.381272 4.061519 -0.086493
C 2.449350 2.066374 0.002130
C 3.588699 1.087314 0.168234
C 3.513265 0.011378 1.087000
C 4.787691 1.245908 -0.569173
C 4.628007 -0.840832 1.235699
C 5.787185 -0.589222 0.463786
H -0.379455 -3.085871 1.398044
H 0.245443 -1.902930 0.197130
H -3.821637 -2.959710 -0.262134
H -2.991436 -3.724716 1.132421
H -0.065779 -3.552464 -1.646136
H 0.874298 -4.346218 -0.321048
H -3.091606 -5.369434 -0.710433
H -2.419654 -4.165569 -1.880813
H -4.348853 -1.041226 0.237315
H -3.553253 3.746232 -0.030203
H 0.794385 4.057323 -0.127467
H -1.437946 5.153688 -0.138084
H 2.431376 2.795322 0.840258
H 2.544621 2.627742 -0.948956
H 2.592460 -0.151375 1.656184
H 4.887441 2.054494 -1.304963
H 4.607047 -1.682808 1.934789
H 6.674704 -1.225681 0.554116


