%chk=000131430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131430

0 1
 O    1.066200     -0.4299000      -1.085600    
 O    2.526700      -3.786700      -2.280200    
 O   0.4511000      -3.978100      -1.357400    
 O    1.758600       1.399200       2.247000    
 O    2.229200       1.969500      -2.674600    
 O    1.693200       4.117200      -2.165200    
 N    1.161600      -2.111700      0.5015000    
 N   7.6300003E-02   1.236400      0.6536000    
 N   0.8356000       4.155900       2.136000    
 N   -4.432400      0.3996000     -0.3160000    
 N   -6.696400     -0.3680000     -8.1299998E-02
 N   -5.978900      0.5620000      -2.034600    
 C    2.223900      -2.880200     -0.1339000    
 C    2.701100      -3.846300      0.9444000    
 C   0.7756000      -2.703400       1.780000    
 C    1.457000      -4.063200       1.802300    
 C  -0.2591000     -0.1522000      0.8727000    
 C   0.7179000     -0.8982000     -3.9999999E-04
 C   -1.709700     -0.4459000      0.4978000    
 C    1.612300      -3.602100      -1.296700    
 C   -2.700500      0.2892000       1.409000    
 C    1.064800       1.900800       1.364700    
 C    1.190300       3.365300      0.9559000    
 C   -4.152500     -1.8500000E-02   1.058500    
 C    2.615900       3.726700      0.5126000    
 C    3.123800       2.886500     -0.6589000    
 C    2.284300       3.079000      -1.897200    
 C   -5.636000      0.1972000     -0.7540000    
 H    3.008400      -2.201600     -0.4854000    
 H    3.100200      -4.785300      0.5493000    
 H    3.480200      -3.369000       1.551300    
 H    1.165000      -2.066000       2.581300    
 H  -0.3112000      -2.775600       1.870100    
 H    1.692400      -4.398800       2.816100    
 H   0.8099000      -4.816700       1.337900    
 H  -9.0899996E-02 -0.3603000       1.932300    
 H   -1.895700      -1.525200      0.5578000    
 H   -1.881600     -0.1632000     -0.5488000    
 H  -0.3983000       1.720800     -0.1028000    
 H   -2.518700      5.2000000E-03   2.452400    
 H   -2.539200       1.371500       1.336000    
 H   0.4789000       3.607800      0.1598000    
 H   -4.329700      -1.094400       1.177400    
 H   -4.800500      0.5208000       1.759800    
 H    2.657200       4.791000      0.2463000    
 H    3.312800       3.587300       1.350000    
 H    2.145700      -4.259500      -3.050700    
 H    4.151100       3.174400     -0.9074000    
 H    3.131600       1.825100     -0.3888000    
 H   0.9115000       5.148800       1.918100    
 H  -0.1421000       3.992700       2.375000    
 H    1.669200       2.105800      -3.468300    
 H   -7.600500     -0.4765000     -0.5283000    
 H   -6.618600     -0.6933000      0.8756000    
 H   -6.914700      0.4133000      -2.395900    
 H   -5.302300      0.9930000      -2.655200    


%chk=000131430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131430

0 1
O -0.026671 -1.723428 -1.273955
O 2.376328 -5.021874 -1.801688
O 0.807085 -5.221688 -0.100596
O 1.343852 0.701104 1.015712
O 2.753935 2.965595 -3.218060
O 0.851853 4.083137 -2.505665
N 1.198717 -2.444144 0.552568
N -0.936276 0.405729 0.640895
N -0.970295 3.323915 1.211371
N -3.515819 1.050493 0.406900
N -5.453688 2.147316 -0.505699
N -3.440743 3.325163 -0.146965
C 2.160103 -3.132813 -0.325787
C 3.459855 -3.188839 0.530297
C 1.661503 -2.385889 1.967628
C 2.919686 -3.289199 1.979393
C -0.849604 -1.037566 0.939089
C 0.158145 -1.735452 -0.014277
C -2.221537 -1.736182 0.729916
C 1.669780 -4.538634 -0.689761
C -3.419262 -1.158650 1.533995
C 0.190492 1.167412 0.684801
C 0.017561 2.658264 0.287420
C -4.291257 -0.159145 0.736602
C 1.376706 3.395255 0.283569
C 2.319690 2.951670 -0.851084
C 1.865509 3.401990 -2.223437
C -4.122459 2.126292 -0.077111
H 2.289973 -2.574139 -1.267388
H 4.118533 -4.025113 0.245092
H 4.013047 -2.243822 0.387105
H 1.894466 -1.334716 2.220169
H 0.888168 -2.765799 2.658844
H 3.654986 -2.955169 2.730388
H 2.638343 -4.332345 2.210040
H -0.523791 -1.170091 1.989110
H -2.075401 -2.800526 0.996255
H -2.445049 -1.714361 -0.353666
H -1.946414 0.803486 0.462315
H -4.075069 -1.994700 1.847209
H -3.065941 -0.665681 2.461039
H -0.410698 2.697140 -0.733100
H -4.650357 -0.682723 -0.181863
H -5.194275 0.092426 1.340124
H 1.181904 4.482276 0.187682
H 1.882095 3.210336 1.248518
H 2.053248 -5.937651 -2.020704
H 3.339853 3.350994 -0.693057
H 2.427622 1.851572 -0.843151
H -0.694969 4.293035 1.422893
H -1.113827 2.798217 2.083661
H 2.418169 3.263053 -4.107133
H -5.955223 3.025888 -0.605103
H -5.964799 1.278470 -0.629011
H -3.694377 4.012519 -0.854651
H -2.503406 3.379795 0.347213


