%chk=000039794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039794

0 1
 O    2.230100       2.104400       1.347000    
 N   -3.746800     -0.1949000     -5.6899998E-02
 N    3.396700       1.531100     -0.5764000    
 C   -4.042700      -1.406600     -0.7952000    
 C   -4.722900      0.3127000      0.8869000    
 C    4.575400       1.016900      8.3099999E-02
 C   -2.519600      0.4740000     -0.2442000    
 C    4.810800     -0.4602000     -0.2698000    
 C   -3.409000      -2.618500     -0.1202000    
 C   -5.555100       1.424900      0.2573000    
 C  -9.1899998E-02   1.797400     -0.6151000    
 C    1.218400       2.511800     -0.8154000    
 C   -1.581100     -2.9800000E-02  -1.144800    
 C   -2.244200       1.639500      0.4710000    
 C    5.787300       1.861900     -0.2968000    
 C  -0.3673000      0.6319000      -1.330300    
 C   -1.030400       2.301100      0.2856000    
 C    2.311100       2.037300      0.1231000    
 C    3.638600      -1.344700      8.2800001E-02
 C   -3.728000      -3.925300     -0.8332000    
 C   -6.627500       1.962700       1.194600    
 C    3.568300      -1.940600       1.342100    
 C    2.626400      -1.566300     -0.8510000    
 C    2.485900      -2.758000       1.667600    
 C    1.543900      -2.383500     -0.5255000    
 C    1.473700      -2.979400      0.7338000    
 H   -3.768000      -1.333200      -1.853900    
 H   -5.130600      -1.558800     -0.8176000    
 H   -4.269300      0.6233000       1.835400    
 H   -5.403300     -0.5002000       1.175900    
 H    4.437300       1.097400       1.168300    
 H    5.709100     -0.8287000      0.2427000    
 H    5.020200     -0.5635000      -1.343400    
 H   -3.766000      -2.688700      0.9150000    
 H   -2.320400      -2.513200     -5.8499999E-02
 H   -6.042200       1.046700     -0.6504000    
 H   -4.923700       2.260100     -6.4000003E-02
 H    1.522800       2.421700      -1.865300    
 H    1.088500       3.588500     -0.6455000    
 H    3.380900       1.513400      -1.591800    
 H   -1.732200     -0.9295000      -1.730600    
 H   -2.929500       2.083300       1.184400    
 H    5.630900       2.910600     -2.0800000E-02
 H    6.687900       1.508000      0.2153000    
 H    5.972700       1.829700      -1.376300    
 H   0.3526000      0.2365000      -2.041400    
 H  -0.8261000       3.207600      0.8494000    
 H   -4.808100      -4.099500     -0.8658000    
 H   -3.262800      -4.766600     -0.3103000    
 H   -3.349800      -3.910700      -1.860300    
 H   -7.318800       1.168900       1.494500    
 H   -7.205800       2.748700      0.6991000    
 H   -6.177800       2.387600       2.097600    
 H    4.349700      -1.773600       2.078600    
 H    2.671000      -1.112700      -1.837500    
 H    2.430700      -3.221300       2.648400    
 H   0.7569000      -2.559100      -1.253000    
 H   0.6303000      -3.615200      0.9869000    


%chk=000039794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039794

0 1
O 3.822864 3.162590 -0.843531
N -3.242174 -0.365345 -0.672813
N 2.738662 1.114573 -0.655269
C -3.828338 -1.052716 -1.837889
C -3.849696 -0.644016 0.641807
C 3.964804 0.343435 -0.353909
C -2.134965 0.486708 -0.802969
C 3.576490 -1.044834 0.221219
C -3.137639 -2.393370 -2.199773
C -4.931549 0.380836 1.070379
C 0.160204 2.243438 -1.062479
C 1.385799 3.130054 -1.186959
C -1.468349 0.668361 -2.057487
C -1.618699 1.219139 0.315055
C 4.855026 0.201029 -1.610556
C -0.359495 1.529766 -2.173596
C -0.501862 2.063507 0.179588
C 2.754000 2.473941 -0.874869
C 2.783766 -0.999517 1.521619
C -3.805712 -3.077831 -3.411050
C -5.540823 0.036064 2.446013
C 3.401801 -0.587165 2.731357
C 1.412783 -1.360337 1.554622
C 2.671956 -0.538223 3.938860
C 0.676677 -1.311777 2.760945
C 1.304380 -0.901335 3.958510
H -3.816687 -0.378113 -2.715792
H -4.896468 -1.247375 -1.618975
H -3.061307 -0.701504 1.417922
H -4.311609 -1.650072 0.599115
H 4.533445 0.917914 0.403699
H 4.518846 -1.605829 0.372480
H 3.003525 -1.597260 -0.550855
H -3.173251 -3.064596 -1.319013
H -2.066997 -2.208236 -2.409637
H -5.726238 0.403880 0.298863
H -4.488714 1.394332 1.091860
H 1.474264 3.535710 -2.212860
H 1.317387 4.006801 -0.517462
H 1.831530 0.640978 -0.639070
H -1.809245 0.134979 -2.949494
H -2.095608 1.141875 1.296098
H 5.095159 1.200061 -2.009924
H 5.803301 -0.308765 -1.357145
H 4.339561 -0.385716 -2.393120
H 0.117067 1.644592 -3.155900
H -0.137525 2.600284 1.064459
H -4.871728 -3.296653 -3.210401
H -3.307325 -4.032616 -3.656051
H -3.759556 -2.434455 -4.310144
H -6.008093 -0.967143 2.438068
H -6.318156 0.766414 2.732742
H -4.768432 0.039898 3.238463
H 4.461962 -0.304649 2.727089
H 0.914232 -1.681658 0.630877
H 3.167510 -0.220445 4.863304
H -0.382026 -1.595152 2.762798
H 0.738460 -0.867153 4.896381


