%chk=000114059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114059

0 1
 O    5.109200      0.5073000     -0.1630000    
 N   -2.015100     -2.9400000E-02  -1.712400    
 C   0.5221000      -1.382400     -0.5015000    
 C  -0.7853000      -1.005700      0.1985000    
 C   -1.151700      0.2849000     -0.5770000    
 C   0.1169000      -1.553700      -2.045600    
 C    1.021900      -2.725500      8.3099999E-02
 C  -0.6980000     -0.9669000       1.735600    
 C    1.504100     -0.1673000     -0.2465000    
 C  -0.5173000       1.491800      0.1000000    
 C   -1.435200      -1.263400      -2.368800    
 C    1.119800      -2.720500       1.612700    
 C  -0.1980000      -2.310200       2.268000    
 C    1.008500       1.155800      0.1083000    
 C   -3.412900     -0.1849000      -1.346100    
 C    2.889400     -0.3460000     -0.3524000    
 C    1.907000       2.187900      0.3985000    
 C    3.764300      0.7063000     -6.8099998E-02
 C    3.278400       1.957600      0.3152000    
 C   -3.950700       1.057700     -0.6992000    
 C   -4.469700       1.198900      0.5358000    
 C   -4.992700       2.478800       1.123700    
 C   -4.566100      1.2100000E-02   1.458800    
 C    5.950900       1.616900      0.1427000    
 H   -1.533600      -1.790700      2.0000000E-02
 H  -0.4292000      0.4799000      -1.383300    
 H   0.3368000      -2.573900      -2.383000    
 H   0.7312000     -0.8885000      -2.667100    
 H    1.986700      -3.015300     -0.3462000    
 H   0.3202000      -3.521700     -0.2026000    
 H   -1.685800     -0.7513000       2.156600    
 H  -2.6600000E-02 -0.1897000       2.111000    
 H  -0.8971000       1.663200       1.111300    
 H  -0.6899000       2.403100     -0.4869000    
 H   -1.550400      -1.160900      -3.453800    
 H   -2.000700      -2.158200      -2.076200    
 H    1.916900      -2.042000       1.937400    
 H    1.400600      -3.721500       1.960400    
 H  -0.9542000      -3.082200       2.079300    
 H  -6.8400003E-02  -2.252000       3.354500    
 H   -3.993700     -0.3364000      -2.265400    
 H   -3.577700      -1.086200     -0.7527000    
 H    3.306600      -1.303300     -0.6506000    
 H    1.543300       3.175700      0.6683000    
 H    3.913700       2.805400      0.5490000    
 H   -3.912700       1.949700      -1.324600    
 H   -4.418700       2.753700       2.014300    
 H   -4.920800       3.306600      0.4107000    
 H   -6.045200       2.368400       1.403500    
 H   -3.967800     -0.8527000       1.173000    
 H   -4.219900      0.2949000       2.459800    
 H   -5.609700     -0.3087000       1.543200    
 H    5.844000       1.928900       1.187200    
 H    5.797300       2.445100     -0.5575000    
 H    6.985600       1.281500      1.5699999E-02


%chk=000114059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114059

0 1
O 5.165346 0.456923 -0.175604
N -2.066364 -0.009656 -1.689524
C 0.575633 -1.386980 -0.547190
C -0.730663 -1.013418 0.181971
C -1.025438 0.275030 -0.668361
C 0.090198 -1.528293 -2.088965
C 1.164592 -2.715134 -0.003443
C -0.615385 -0.989635 1.720358
C 1.508330 -0.132150 -0.262412
C -0.547987 1.501440 0.115501
C -1.462738 -1.263900 -2.367636
C 1.269519 -2.716233 1.543782
C -0.086039 -2.362817 2.210505
C 0.984417 1.166271 0.163489
C -3.460145 -0.244455 -1.224528
C 2.906480 -0.281615 -0.350710
C 1.899330 2.185625 0.492342
C 3.800518 0.768970 -0.026247
C 3.301983 2.013830 0.415204
C -4.052154 1.024291 -0.650299
C -4.655792 1.198286 0.560822
C -5.203515 2.558880 0.964657
C -4.854399 0.107959 1.600543
C 6.130919 1.507170 0.148853
H -1.495885 -1.783946 -0.041360
H -0.216680 0.337797 -1.408509
H 0.285444 -2.566420 -2.426527
H 0.702083 -0.874318 -2.738442
H 2.145760 -2.951559 -0.459218
H 0.476942 -3.530353 -0.312564
H -1.604520 -0.774808 2.171989
H 0.077093 -0.201150 2.066563
H -0.988709 1.620136 1.122029
H -0.696453 2.447160 -0.439308
H -1.607165 -1.179039 -3.462310
H -2.025329 -2.165558 -2.035574
H 2.035098 -1.982081 1.863039
H 1.614394 -3.709970 1.890804
H -0.828076 -3.153443 1.969555
H 0.027389 -2.356189 3.312206
H -4.048372 -0.551981 -2.114479
H -3.528973 -1.089505 -0.495196
H 3.348797 -1.231688 -0.666570
H 1.504409 3.161286 0.802376
H 3.968074 2.840859 0.678008
H -3.958075 1.894711 -1.316399
H -4.718103 2.921726 1.892993
H -5.046367 3.314763 0.176005
H -6.290119 2.504470 1.177611
H -4.362189 -0.840804 1.331469
H -4.461412 0.434228 2.584064
H -5.933287 -0.100859 1.746200
H 6.052811 1.814123 1.210614
H 5.996856 2.394127 -0.501352
H 7.118519 1.058898 -0.035225


