%chk=000086496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086496

0 1
 O    4.689200      -1.268900     -7.2999999E-02
 O   -6.068000      0.4359000      0.3162000    
 N    5.503400       1.931500      0.6269000    
 C    2.589200     -0.1123000      0.4348000    
 C    1.825700      -1.032700     -0.5560000    
 C   0.2833000      -1.030700     -0.4799000    
 C  -0.3250000      0.3832000     -0.3171000    
 C    3.991000     -3.1700000E-02 -0.2529000    
 C    1.896700       1.270300      0.5372000    
 C    2.324100     -0.5843000      -1.948400    
 C   0.3901000       1.187000      0.7812000    
 C    3.671400      0.1131000      -1.743900    
 C  -0.2495000      -1.968700      0.6119000    
 C    2.709100     -0.7376000       1.839400    
 C   -1.831700      0.3464000     -7.6600000E-02
 C   -1.770200      -2.089000      0.5315000    
 C   -2.480400     -0.7796000      0.2923000    
 C   -2.568400       1.645200     -0.3365000    
 C    4.836200       1.065400      0.2387000    
 C   -3.980700     -0.8378000      0.4762000    
 C   -4.056400       1.566300     -0.1819000    
 C   -4.693900      0.4488000      0.1858000    
 C   -6.685100      8.0300003E-02 -0.9059000    
 H    2.171700      -2.067900     -0.4222000    
 H  -8.2099997E-02  -1.440100      -1.434600    
 H  -0.1676000      0.9089000      -1.269000    
 H    2.053300       1.852100     -0.3795000    
 H    2.349100       1.857600       1.346600    
 H    1.629000      0.1040000      -2.441100    
 H    2.429800      -1.452500      -2.609100    
 H   0.1859000      0.7613000       1.770100    
 H   1.8000000E-03   2.212200      0.8109000    
 H    4.437500     -0.3402000      -2.383500    
 H    3.579800       1.164500      -2.043300    
 H   1.6100001E-02  -1.606400       1.608400    
 H   0.1928000      -2.967100      0.5121000    
 H    3.022800      -1.786000       1.793000    
 H    3.446700     -0.1978000       2.444100    
 H    1.770300     -0.7062000       2.395500    
 H   -2.130100      -2.543100       1.462600    
 H   -2.034200      -2.776900     -0.2818000    
 H   -2.350900       1.979200      -1.358200    
 H   -2.203100       2.417800      0.3486000    
 H    5.516000      -1.228200     -0.5839000    
 H   -4.378900      -1.622700     -0.1779000    
 H   -4.199100      -1.129500       1.511000    
 H   -4.624000       2.472100     -0.3771000    
 H   -7.769000      9.7400002E-02 -0.7566000    
 H   -6.406200     -0.9323000      -1.216400    
 H   -6.444900      0.7966000      -1.699500    


%chk=000086496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086496

0 1
O 4.666028 -1.386158 0.034047
O -6.085020 0.783888 0.055839
N 5.603320 1.808245 0.912534
C 2.597462 -0.158581 0.480176
C 1.846188 -1.022432 -0.596541
C 0.292534 -0.983552 -0.551331
C -0.273794 0.455527 -0.377775
C 4.029195 -0.063485 -0.173722
C 1.962101 1.260675 0.578640
C 2.416293 -0.549005 -1.975846
C 0.433383 1.200278 0.793546
C 3.765980 0.173460 -1.689287
C -0.338494 -1.927271 0.500955
C 2.685919 -0.808288 1.879896
C -1.798222 0.461843 -0.237993
C -1.862195 -2.019601 0.282516
C -2.515031 -0.662596 0.050599
C -2.468144 1.808299 -0.476410
C 4.891613 0.980367 0.429885
C -4.034951 -0.679156 0.148958
C -3.977121 1.786729 -0.404535
C -4.679627 0.664149 -0.114776
C -6.911939 -0.360236 -0.345257
H 2.166421 -2.071438 -0.441660
H -0.055494 -1.354238 -1.541454
H -0.032431 1.034403 -1.299093
H 2.156789 1.837965 -0.347634
H 2.440641 1.819633 1.405645
H 1.712547 0.141520 -2.475331
H 2.550838 -1.412937 -2.649325
H 0.191587 0.703506 1.752631
H 0.041570 2.231853 0.873294
H 4.605043 -0.219803 -2.291824
H 3.698256 1.254556 -1.902562
H -0.139480 -1.557334 1.523810
H 0.117813 -2.933924 0.430937
H 3.047952 -1.846384 1.811699
H 3.388453 -0.246465 2.523621
H 1.703721 -0.809492 2.380746
H -2.341959 -2.513289 1.153307
H -2.078128 -2.677298 -0.588622
H -2.147092 2.198445 -1.469142
H -2.075282 2.552648 0.251851
H 5.530495 -1.400757 -0.451906
H -4.425884 -1.447280 -0.556102
H -4.334330 -1.039654 1.159360
H -4.523705 2.723140 -0.566226
H -7.948072 -0.050695 -0.139253
H -6.682706 -1.269702 0.243531
H -6.800437 -0.583179 -1.425217


