%chk=000124136.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124136

0 1
 O   -1.646900      -1.217000      -1.302400    
 O   -1.406500      -3.214400     -9.3099996E-02
 O    2.357700      -1.423800      0.1988000    
 O    1.951800      0.3366000       1.881400    
 O    1.140200       4.844800      -1.088200    
 O    3.529100      -2.659800      -1.350300    
 N   -3.906400      -1.672900      0.5703000    
 N   -1.841600      0.1672000      -1.118400    
 N    4.622100      -1.337400      0.1805000    
 C   -2.522200      -1.416100      0.9661000    
 C   -3.461500     -0.2839000      0.6070000    
 C   -1.401100      -1.786700      3.5000001E-03
 C   -3.216000      0.4392000     -0.6863000    
 C  -8.2000000E-03  -1.280500      0.4986000    
 C   8.4299996E-02  0.2342000      0.3633000    
 C  -0.8394000      0.9139000     -0.4574000    
 C    1.138300      -1.909100     -0.3188000    
 C    1.060700      0.9603000       1.059100    
 C  -0.7660000       2.309100     -0.5663000    
 C   0.2150000       3.020400      0.1252000    
 C    1.125700       2.347500      0.9368000    
 C   0.2865000       4.504700     -2.4999999E-03
 C    3.504400      -1.876300     -0.4070000    
 H   -2.297300      -1.613200       2.005700    
 H   -3.877300      0.3332000       1.390600    
 H   -4.470400      -1.879200       1.394100    
 H   -3.912600      8.6000003E-02  -1.456600    
 H   -3.405200       1.512000     -0.5667000    
 H   9.8200001E-02  -1.566300       1.553000    
 H    1.056200      -1.637800      -1.378800    
 H    1.126800      -3.000600     -0.2320000    
 H  -0.7648000      -3.572700      0.5422000    
 H   -1.472400       2.840200      -1.200700    
 H    1.888200       2.900300       1.480500    
 H    1.796500     -0.6184000       1.918600    
 H  -0.7018000       4.938700     -0.1873000    
 H   0.6768000       4.967700      0.9103000    
 H    1.969400       4.346100     -0.9921000    
 H    4.549400     -0.6916000      0.9595000    
 H    5.554400      -1.567400     -0.1465000    


%chk=000124136-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124136

0 1
O -1.426555 -1.203347 -1.309061
O -1.334383 -3.149968 -0.023956
O 2.497990 -1.741697 0.438492
O 2.125685 0.395612 1.919666
O -0.261890 5.169647 -1.067232
O 3.647372 -3.020058 -1.170450
N -3.770151 -1.693741 0.478761
N -1.672806 0.256315 -1.279341
N 4.779722 -1.689448 0.403414
C -2.418976 -1.223370 0.988479
C -3.412537 -0.211897 0.444535
C -1.272548 -1.732739 0.112184
C -3.114511 0.426259 -0.916456
C 0.123761 -1.280625 0.570623
C 0.212637 0.240976 0.376267
C -0.707209 0.946065 -0.453152
C 1.192003 -2.095112 -0.194005
C 1.168853 1.011858 1.104240
C -0.698203 2.362028 -0.515782
C 0.220528 3.100813 0.259553
C 1.168513 2.421482 1.058512
C 0.211592 4.624553 0.213266
C 3.669266 -2.226105 -0.206506
H -2.215468 -1.230308 2.066246
H -3.904994 0.429499 1.186212
H -4.422056 -1.912134 1.254883
H -3.712246 -0.043483 -1.713444
H -3.331119 1.506841 -0.893132
H 0.235101 -1.513153 1.650447
H 1.222703 -1.830034 -1.262465
H 1.028415 -3.177638 -0.084062
H -2.277670 -3.362551 -0.269090
H -1.393175 2.888995 -1.176924
H 1.924717 2.961669 1.637236
H 2.320616 -0.524815 1.551623
H -0.501094 5.036123 0.950273
H 1.220572 5.014676 0.464587
H 0.297122 4.797350 -1.796185
H 4.698956 -0.989885 1.138906
H 5.695566 -1.961653 0.056541


