%chk=000026828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026828

0 1
 O   0.4209000      -1.581800     -0.1050000    
 N   -2.811300      -3.276100      0.3611000    
 C   0.5911000      0.6220000      0.9287000    
 C   0.8380000     -0.2435000     -0.3309000    
 C    1.866900      0.4851000       1.795600    
 C    2.331600     -0.2213000     -0.4372000    
 C    2.913600      0.1958000      0.7650000    
 C   0.3392000       2.086900      0.5533000    
 C    3.114800     -0.5764000      -1.523300    
 C    4.289400      0.2600000      0.9087000    
 C   -1.089600       2.311100      0.1491000    
 C  -0.9928000      -1.676300      6.3999998E-03
 C    4.503100     -0.5033000      -1.391500    
 C    5.086200     -8.8500001E-02 -0.1839000    
 C   -1.369500      -3.133100      0.2236000    
 C   -1.457000       2.169100      -1.183800    
 C   -2.030100       2.658400       1.111600    
 C   -2.784000       2.377300      -1.559500    
 C   -3.357100       2.866700      0.7359000    
 C   -3.734100       2.726100     -0.5997000    
 C   -3.171700      -4.673700      0.6121000    
 C   -3.497400      -2.784600     -0.8362000    
 H  -0.2380000      0.2902000       1.558400    
 H   0.3867000      0.1411000      -1.247800    
 H    1.783000     -0.3715000       2.473900    
 H    2.092600       1.386300       2.372800    
 H    1.014200       2.424300     -0.2440000    
 H   0.5575000       2.741000       1.408200    
 H    2.666400     -0.9057000      -2.454500    
 H    4.742400      0.5715000       1.843800    
 H   -1.386600      -1.090800      0.8397000    
 H   -1.413600      -1.287600     -0.9263000    
 H    5.139400     -0.7746000      -2.229500    
 H    6.168500     -4.3099999E-02 -9.8399997E-02
 H  -0.9731000      -3.743500     -0.5992000    
 H  -0.8651000      -3.487500       1.132000    
 H  -0.7279000       1.921300      -1.949000    
 H   -1.748600       2.768100       2.155200    
 H   -3.076700       2.272900      -2.600200    
 H   -4.097000       3.137700       1.483300    
 H   -4.767200       2.889100     -0.8924000    
 H   -2.684000      -5.038700       1.523000    
 H   -2.887100      -5.329300     -0.2188000    
 H   -4.250900      -4.770400      0.7757000    
 H   -4.564700      -3.035000     -0.7933000    
 H   -3.092600      -3.216800      -1.758700    
 H   -3.469300      -1.692700     -0.9037000    


%chk=000026828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026828

0 1
O 0.337577 -1.526214 0.115116
N -2.899151 -3.383261 0.359749
C 0.693146 0.748619 1.191456
C 0.816368 -0.138446 -0.094776
C 2.086971 0.640871 1.893684
C 2.307943 -0.193069 -0.360546
C 3.036358 0.253823 0.768752
C 0.350218 2.228677 0.835586
C 2.970631 -0.637901 -1.521603
C 4.446244 0.270849 0.743864
C -1.024048 2.401295 0.202429
C -1.129496 -1.632423 0.067411
C 4.385683 -0.620591 -1.549998
C 5.117294 -0.166860 -0.424174
C -1.455188 -3.130785 0.137676
C -1.168546 2.781262 -1.156680
C -2.200651 2.168917 0.963496
C -2.448200 2.921294 -1.742606
C -3.481022 2.305517 0.383974
C -3.610224 2.681110 -0.974380
C -3.154780 -4.787274 0.741699
C -3.744797 -2.964961 -0.778091
H -0.108987 0.350489 1.839599
H 0.240273 0.295775 -0.940796
H 2.076898 -0.147840 2.670917
H 2.375642 1.585398 2.392528
H 1.133996 2.625819 0.161285
H 0.403402 2.819680 1.771432
H 2.400428 -0.997393 -2.385598
H 5.019390 0.615672 1.612641
H -1.603204 -1.111185 0.925870
H -1.501615 -1.164931 -0.870129
H 4.920734 -0.958665 -2.444662
H 6.212946 -0.155236 -0.459558
H -1.071901 -3.633032 -0.787001
H -0.894298 -3.551185 0.992547
H -0.271167 2.975015 -1.757941
H -2.112754 1.885098 2.020260
H -2.537363 3.218996 -2.793700
H -4.376344 2.123593 0.989465
H -4.603096 2.790281 -1.425046
H -2.568466 -5.040446 1.642921
H -2.890020 -5.523438 -0.060590
H -4.225470 -4.917705 0.981918
H -4.803890 -3.172652 -0.542458
H -3.491331 -3.496407 -1.732059
H -3.647635 -1.879950 -0.953585


