%chk=000029400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029400

0 1
 O   -1.912600       1.442400      -1.938000    
 N   3.0700000E-02   1.981100       1.610300    
 N  -5.5599999E-02   2.239400     -0.7597000    
 C    1.380000      0.4758000      9.9299997E-02
 C   -1.196300      0.3233000      0.1485000    
 C   0.1407000     -0.4724000     -1.7000001E-02
 C    1.291600       1.217700       1.470700    
 C    1.209100       1.561400      -1.004700    
 C   -1.123000       1.055900       1.525800    
 C  -8.0799997E-02   2.956900      0.5076000    
 C   -1.167000       1.394500     -0.9676000    
 C    2.681700     -0.3242000     -5.5000000E-03
 C   -2.464900     -0.5302000      6.4800002E-02
 C    2.961500      -1.330600      0.9209000    
 C    3.592300     -4.9199998E-02  -1.027700    
 C   -3.720500      6.9600001E-02  0.1782000    
 C   -2.368900      -1.909900     -0.1248000    
 C    4.147300      -2.059100      0.8254000    
 C    4.777800     -0.7777000      -1.123200    
 C   -4.876000     -0.7080000      0.1021000    
 C   -3.524500      -2.687400     -0.2010000    
 C    5.055400      -1.782800     -0.1966000    
 C   -4.778100      -2.086400     -8.7600000E-02
 H   0.1975000      -1.252800      0.7527000    
 H   0.1708000     -0.9774000     -0.9932000    
 H    1.366100      0.5162000       2.311100    
 H    2.142200       1.903400       1.585600    
 H    2.008100       2.312200     -0.9900000    
 H    1.165800       1.110500      -2.004500    
 H   -2.032600       1.640200       1.714800    
 H   -1.069400      0.3258000       2.344900    
 H   0.7363000       3.687200      0.5318000    
 H   -1.023800       3.511900      0.5846000    
 H    2.273000      -1.565700       1.727400    
 H    3.424900      0.7196000      -1.773800    
 H   -3.821400       1.142300      0.3180000    
 H   -1.420900      -2.427100     -0.2211000    
 H    4.363900      -2.841400       1.547000    
 H    5.485300     -0.5633000      -1.919000    
 H   -5.852300     -0.2399000      0.1885000    
 H   -3.449000      -3.760700     -0.3493000    
 H    5.978600      -2.350100     -0.2710000    
 H   -5.677900      -2.691600     -0.1476000    


%chk=000029400-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029400

0 1
O -2.238356 1.908353 -1.604779
N 0.025407 1.993372 1.573016
N -0.032279 2.371193 -0.870936
C 1.375477 0.486380 0.060620
C -1.209813 0.345002 0.041761
C 0.131324 -0.443785 -0.080298
C 1.292156 1.216574 1.451406
C 1.235613 1.585378 -1.031673
C -1.144489 1.097629 1.473491
C -0.044191 3.020003 0.503599
C -1.240826 1.536479 -0.949571
C 2.676282 -0.318991 -0.038900
C -2.448249 -0.550347 -0.005715
C 2.922698 -1.376622 0.880387
C 3.671836 -0.043463 -1.013035
C -3.744408 0.022313 0.121431
C -2.355670 -1.961323 -0.132292
C 4.114716 -2.128866 0.830362
C 4.867076 -0.797104 -1.068312
C -4.900038 -0.785496 0.130938
C -3.513125 -2.773117 -0.126223
C 5.095868 -1.842521 -0.147421
C -4.791680 -2.190346 0.009021
H 0.154726 -1.214824 0.714199
H 0.182939 -0.974964 -1.050033
H 1.338140 0.483375 2.276999
H 2.147562 1.908089 1.565340
H 2.069111 2.312027 -0.975862
H 1.242353 1.143375 -2.044459
H -2.068817 1.680732 1.628250
H -1.088810 0.317949 2.254897
H 0.823602 3.696963 0.574137
H -0.976280 3.599704 0.604891
H 2.176413 -1.620167 1.646389
H 3.525861 0.758660 -1.743105
H -3.856157 1.109123 0.183872
H -1.381147 -2.445739 -0.244620
H 4.278913 -2.937783 1.551249
H 5.618291 -0.565881 -1.832124
H -5.886613 -0.317878 0.224892
H -3.412796 -3.859762 -0.228768
H 6.022123 -2.425997 -0.190332
H -5.689642 -2.818298 0.014411


