%chk=000039604.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039604

0 1
 O    1.253900      -1.001700     -0.5260000    
 O   0.8872000      -1.105600       1.744200    
 N    4.613800      0.3962000      7.5900003E-02
 C   -1.663200      0.2074000      0.1092000    
 C    3.178500      0.3859000     -0.1645000    
 C  -0.9539000     -0.9984000      0.2330000    
 C   -3.035000      0.1708000     -0.2367000    
 C    2.668600      -1.039100     -0.3088000    
 C   -1.588000      -2.222700      1.9099999E-02
 C   -1.041200       1.448600      0.3211000    
 C   0.4621000      -1.041100      0.5866000    
 C   -3.657100      -1.070400     -0.4488000    
 C   -3.744400       1.376500     -0.3606000    
 C   -2.936900      -2.258600     -0.3214000    
 C    5.099100       1.766500      0.2567000    
 C    5.328600     -0.2516000      -1.026600    
 C   -1.761500       2.636600      0.1939000    
 C   -3.110600       2.600700     -0.1463000    
 H    2.906800      0.9669000      -1.056400    
 H    2.656900      0.8637000      0.6746000    
 H    2.922600      -1.662800      0.5569000    
 H    3.074800      -1.533800      -1.195700    
 H   -1.040000      -3.156900      0.1149000    
 H   1.0200000E-02   1.521300      0.5885000    
 H   -4.710600      -1.122300     -0.7157000    
 H   -4.799600       1.372300     -0.6258000    
 H   -3.430000      -3.211800     -0.4881000    
 H    6.168400       1.768600      0.4960000    
 H    4.589600       2.246600       1.099700    
 H    4.942900       2.381300     -0.6371000    
 H    5.046700      0.1555000      -2.004600    
 H    5.178900      -1.335600      -1.029000    
 H    6.411000     -0.1167000     -0.9099000    
 H   -1.268800       3.590100      0.3606000    
 H   -3.670700       3.525900     -0.2452000    


%chk=000039604-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039604

0 1
O 1.155336 -0.203484 -0.765448
O 1.149117 -2.043033 0.644853
N 4.851988 0.251777 -0.071481
C -1.773562 0.136887 -0.382755
C 3.407147 0.215042 0.246395
C -0.968765 -0.911669 0.224267
C -3.201961 0.145318 -0.094628
C 2.628580 -0.392843 -0.937279
C -1.583881 -1.869375 1.055443
C -1.269219 1.170142 -1.245862
C 0.511420 -1.118231 0.074262
C -3.774664 -0.853964 0.756764
C -4.042604 1.158467 -0.665358
C -2.978348 -1.848569 1.324659
C 5.726483 0.023399 1.095778
C 5.250646 1.441608 -0.848204
C -2.116131 2.142710 -1.785460
C -3.515312 2.144411 -1.497751
H 2.993149 1.226454 0.479457
H 3.245858 -0.421937 1.132627
H 2.852276 -1.467976 -1.029255
H 2.849379 0.127541 -1.882595
H -0.946865 -2.642960 1.495698
H -0.204773 1.181308 -1.477929
H -4.853000 -0.822146 0.954257
H -5.113917 1.140775 -0.431679
H -3.416505 -2.612261 1.975155
H 6.775601 -0.063010 0.758786
H 5.449997 -0.924108 1.589784
H 5.678416 0.841729 1.857947
H 5.170992 2.393195 -0.263240
H 4.618306 1.543735 -1.747539
H 6.296888 1.332860 -1.185882
H -1.699234 2.916163 -2.440467
H -4.163733 2.914345 -1.929619


