%chk=000115431.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115431

0 1
 O    5.052200      0.6251000       1.761900    
 N   -1.551600      0.2040000     -0.4527000    
 C   0.7738000      -1.412300      0.3144000    
 C   9.4999997E-03  -1.600400      -1.032300    
 C  -0.5596000     -0.2296000      -1.460300    
 C  -0.2582000     -0.8980000       1.356800    
 C   0.5927000      0.7591000      -1.740400    
 C    1.877800     -0.3519000      0.1764000    
 C   -1.010100      0.3585000      0.8980000    
 C    1.759800      0.6793000     -0.7824000    
 C    1.310700      -2.777300      0.7987000    
 C   0.8377000      -2.259300      -2.147200    
 C   -2.314300       1.380800     -0.8570000    
 C    2.993900     -0.3397000       1.032900    
 C    2.763800       1.657100     -0.8869000    
 C   -3.503800       1.589100      7.8800000E-02
 C    3.980400      0.6421000      0.9225000    
 C    3.868000       1.637700     -3.9500002E-02
 C   -4.431800      0.3725000      7.3200002E-02
 C   -5.641700      0.5914000      0.9812000    
 C   -6.549100     -0.6283000       1.004000    
 H  -0.8415000      -2.277200     -0.8590000    
 H   -1.109100     -0.3745000      -2.400400    
 H   0.2311000     -0.6882000       2.317000    
 H  -0.9956000      -1.689100       1.553500    
 H   0.2221000       1.789200      -1.778500    
 H   0.9859000      0.5462000      -2.744100    
 H   -1.801700      0.4985000       1.640000    
 H  -0.3601000       1.238900      0.9692000    
 H    2.165400      -3.113400      0.2013000    
 H    1.634600      -2.741600       1.844900    
 H   0.5337000      -3.548400      0.7387000    
 H    1.059900      -3.302800      -1.901200    
 H   0.2768000      -2.265000      -3.088100    
 H    1.789800      -1.752500      -2.327200    
 H   -1.699400       2.288000     -0.8521000    
 H   -2.694300       1.252500      -1.878200    
 H    3.107200      -1.092700       1.808100    
 H    2.684500       2.443800      -1.633700    
 H   -3.204300       1.859800       1.096000    
 H   -4.068400       2.455700     -0.2910000    
 H    4.628900       2.406900     -0.1379000    
 H   -4.773800      0.1727000     -0.9498000    
 H   -3.899100     -0.5221000      0.4156000    
 H   -5.306800      0.8075000       2.002500    
 H   -6.213800       1.460600      0.6363000    
 H    5.633200       1.374900       1.546900    
 H   -7.408700     -0.4490000       1.657300    
 H   -6.925800     -0.8556000      1.6000000E-03
 H   -6.015700      -1.507600       1.378700    


%chk=000115431-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115431

0 1
O 5.323851 0.471340 1.527329
N -1.501628 0.295174 -0.224983
C 0.856790 -1.386346 0.404904
C -0.011139 -1.582718 -0.883361
C -0.598210 -0.210518 -1.300776
C -0.096935 -0.812144 1.509415
C 0.555257 0.755202 -1.711181
C 1.977310 -0.360753 0.139319
C -0.818710 0.477491 1.079155
C 1.796961 0.675429 -0.827147
C 1.402346 -2.749897 0.899741
C 0.738423 -2.266755 -2.047944
C -2.319269 1.465738 -0.624359
C 3.169432 -0.386911 0.902281
C 2.818862 1.640806 -0.995761
C -3.638845 1.592014 0.174992
C 4.172904 0.585640 0.719098
C 4.006238 1.614186 -0.236695
C -4.590512 0.392276 -0.019911
C -5.862331 0.476450 0.853400
C -6.816696 -0.719154 0.642025
H -0.874406 -2.218225 -0.597221
H -1.242492 -0.364674 -2.189262
H 0.483874 -0.614962 2.431440
H -0.852683 -1.587902 1.744300
H 0.175683 1.796063 -1.735464
H 0.847842 0.521827 -2.756004
H -1.578443 0.733092 1.840475
H -0.093741 1.328851 1.051685
H 2.209792 -3.133273 0.251856
H 1.798309 -2.679723 1.929452
H 0.585601 -3.495925 0.914545
H 0.981645 -3.315818 -1.803823
H 0.111206 -2.276922 -2.959789
H 1.685876 -1.752158 -2.290478
H -1.748475 2.425477 -0.528797
H -2.569497 1.347889 -1.697858
H 3.346913 -1.162878 1.652012
H 2.681057 2.435326 -1.740168
H -3.417286 1.714859 1.254719
H -4.143955 2.528255 -0.141505
H 4.781994 2.376664 -0.385956
H -4.884377 0.328194 -1.089349
H -4.034494 -0.538391 0.206539
H -5.566155 0.529468 1.921417
H -6.400034 1.422272 0.634007
H 5.968803 1.191458 1.317769
H -7.716527 -0.640052 1.279969
H -7.152453 -0.775875 -0.410887
H -6.312575 -1.674069 0.883333


