%chk=000093627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093627

0 1
 O   0.7034000      -1.721500      -1.109800    
 N    1.995000     -4.2100001E-02 -0.1664000    
 C   -1.748200     -0.7783000     -0.2660000    
 C   -3.028100     -8.7600000E-02  0.2127000    
 C  -0.4727000     -1.4300000E-02  9.6400000E-02
 C    2.065600       1.192000      0.6127000    
 C    3.278600     -0.5613000     -0.6221000    
 C   -4.306400     -0.8132000     -0.2126000    
 C   0.7831000     -0.6794000     -0.4539000    
 C    1.978100       2.438100     -0.2623000    
 C    3.906500      -1.523300      0.3809000    
 C   -5.551500     -9.8999999E-02  0.3183000    
 C    2.079200       3.733000      0.5471000    
 C    5.267100      -2.049500     -8.1500001E-02
 C   -6.828600     -0.8398000     -7.7900000E-02
 C    2.049500       4.956100     -0.3562000    
 C    5.895600      -2.957600      0.9640000    
 C   -8.066200     -0.1523000      0.4766000    
 H   -1.798600     -0.9002000      -1.355600    
 H   -1.702100      -1.789800      0.1569000    
 H   -3.050900      0.9370000     -0.1789000    
 H   -3.000800     -7.4999998E-03   1.306600    
 H  -0.4048000      2.4400000E-02   1.188500    
 H  -0.5454000       1.003300     -0.2962000    
 H    3.009300       1.194500       1.172000    
 H    1.277800       1.217700       1.369400    
 H    3.951600      0.2761000     -0.8388000    
 H    3.115300      -1.093000      -1.567200    
 H   -4.350400     -0.8698000      -1.306800    
 H   -4.283100      -1.842800      0.1645000    
 H    2.786600       2.416000      -1.003900    
 H    1.044800       2.439900     -0.8359000    
 H    4.023400      -1.018500       1.347900    
 H    3.227000      -2.367100      0.5548000    
 H   -5.583400      0.9255000     -7.1999997E-02
 H   -5.494500     -2.6799999E-02   1.411300    
 H    3.009500       3.737300       1.126900    
 H    1.249700       3.789000       1.261400    
 H    5.942500      -1.209100     -0.2793000    
 H    5.151200      -2.602200      -1.020900    
 H   -6.793400      -1.869700      0.2959000    
 H   -6.904100     -0.8933000      -1.170200    
 H    1.118300       4.997000     -0.9303000    
 H    2.120600       5.870200      0.2415000    
 H    2.887500       4.944600      -1.060400    
 H    5.257200      -3.823700       1.165700    
 H    6.865300      -3.324600      0.6133000    
 H    6.055500      -2.421400       1.904800    
 H   -8.148600      0.8716000      9.8200001E-02
 H   -8.967600     -0.6977000      0.1803000    
 H   -8.036800     -0.1134000       1.570200    


%chk=000093627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093627

0 1
O 0.777360 -1.690884 -0.985975
N 1.989060 0.083396 -0.110347
C -1.763644 -0.681210 -0.318541
C -3.065248 -0.076600 0.251326
C -0.504027 0.063770 0.165941
C 2.100040 1.365114 0.617265
C 3.246029 -0.540444 -0.590496
C -4.330770 -0.834344 -0.210544
C 0.790848 -0.582539 -0.357183
C 2.122697 2.607460 -0.307324
C 3.853454 -1.525329 0.434937
C -5.642591 -0.243688 0.352907
C 2.319952 3.922534 0.480403
C 5.167683 -2.161828 -0.070554
C -6.903624 -1.016840 -0.096753
C 2.337446 5.167015 -0.433053
C 5.771067 -3.161627 0.939421
C -8.211399 -0.421764 0.468636
H -1.792248 -0.667426 -1.424870
H -1.682456 -1.746914 -0.035290
H -3.148129 0.989459 -0.050148
H -3.023240 -0.083175 1.361503
H -0.483791 0.065657 1.276627
H -0.551859 1.127611 -0.142393
H 3.033971 1.340189 1.213628
H 1.271283 1.457052 1.341217
H 3.968878 0.266030 -0.822711
H 3.018591 -1.084105 -1.524353
H -4.373974 -0.832308 -1.319749
H -4.247895 -1.898809 0.093271
H 2.936285 2.494632 -1.051838
H 1.176539 2.654011 -0.882526
H 4.041167 -1.000199 1.394566
H 3.108049 -2.317553 0.637260
H -5.734091 0.817692 0.039276
H -5.596061 -0.236237 1.462393
H 3.269442 3.869050 1.051884
H 1.510508 4.026408 1.232095
H 5.907227 -1.363528 -0.288997
H 4.972970 -2.679537 -1.031539
H -6.811300 -2.076449 0.218184
H -6.948721 -1.025999 -1.205046
H 1.388110 5.261360 -0.992774
H 2.479083 6.094689 0.150925
H 3.157387 5.104364 -1.172835
H 5.062953 -3.985010 1.148676
H 6.706525 -3.609048 0.556035
H 6.002401 -2.665366 1.900948
H -8.344532 0.626420 0.139812
H -9.096062 -0.995186 0.135249
H -8.202745 -0.426467 1.575157


