%chk=000039553.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039553

0 1
 N   -1.108700      -1.127600     -1.0900000E-02
 N    4.222000     -0.2374000     -0.1719000    
 C   -3.502400     -0.3463000      0.2715000    
 C   -3.219200      0.9741000     -0.5108000    
 C   -1.819000       1.272400      8.4600002E-02
 C   -3.145700      4.2700000E-02   1.733500    
 C   -2.038300       1.104500       1.605400    
 C   -2.524800      -1.472700     -0.1968000    
 C  -0.7688000      0.2457000     -0.4006000    
 C   -4.942200     -0.8524000      0.1633000    
 C   -4.212300       2.118100     -0.1822000    
 C   -3.230900      0.8391000      -2.045300    
 C  -0.2249000      -2.103600     -0.6371000    
 C    1.170000      -1.868700     -0.2528000    
 C    2.314500      -1.679700      5.9000000E-02
 C    3.707300      -1.452800      0.4414000    
 C    5.615500      2.2700001E-02  0.1883000    
 C    3.490700      0.9557000      0.2535000    
 C    5.806600       1.476100     -0.2192000    
 C    4.410700       2.090100     -0.1730000    
 H   -1.474300       2.285100     -0.1533000    
 H   -2.808900     -0.8175000       2.323200    
 H   -4.006400      0.4690000       2.262200    
 H   -2.372900       2.047400       2.053100    
 H   -1.126300      0.8081000       2.134800    
 H   -2.730700      -2.379900      0.3871000    
 H   -2.730700      -1.733300      -1.242200    
 H  -0.6345000      0.3360000      -1.484900    
 H   0.1858000      0.5314000      5.6000002E-02
 H   -5.079100      -1.766500      0.7521000    
 H   -5.662800     -0.1187000      0.5380000    
 H   -5.205000      -1.082900     -0.8743000    
 H   -3.857100       3.065800     -0.6036000    
 H   -5.199400       1.919100     -0.6144000    
 H   -4.360100       2.279200      0.8887000    
 H   -4.239900      0.6148000      -2.409400    
 H   -2.911400       1.777100      -2.514300    
 H   -2.576500      5.5399999E-02  -2.431600    
 H  -0.5010000      -3.114600     -0.3127000    
 H  -0.3231000      -2.080800      -1.729600    
 H    3.787700      -1.414900       1.535200    
 H    4.306200      -2.309000      0.1078000    
 H    6.309400     -0.6385000     -0.3401000    
 H    5.784000     -8.3899997E-02   1.267700    
 H    3.349400      0.9844000       1.341800    
 H    2.515000       1.054100     -0.2311000    
 H    6.208400       1.545500      -1.237000    
 H    6.499800       1.993600      0.4515000    
 H    4.361100       2.931200      0.5259000    
 H    4.136800       2.462400      -1.167200    


%chk=000039553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039553

0 1
N -1.194014 -1.040215 -0.043574
N 4.381152 -0.244785 -0.073491
C -3.619804 -0.407004 0.221680
C -3.358932 0.998299 -0.462916
C -1.962892 1.311069 0.181183
C -3.269810 -0.120469 1.721325
C -2.190187 1.012402 1.696263
C -2.592482 -1.438063 -0.332701
C -0.870878 0.369794 -0.375321
C -5.041089 -0.972387 0.035817
C -4.400286 2.064746 -0.022242
C -3.364266 0.984242 -2.011265
C -0.220032 -2.015077 -0.589502
C 1.164108 -1.785744 -0.134513
C 2.331672 -1.589646 0.211531
C 3.714666 -1.344755 0.660991
C 5.793614 -0.031219 0.339825
C 3.733375 1.085690 0.056275
C 6.158927 1.355189 -0.263398
C 4.780730 2.036234 -0.569010
H -1.656392 2.358777 -0.004353
H -2.882181 -1.031553 2.209538
H -4.176886 0.193140 2.272188
H -2.541865 1.916543 2.225987
H -1.252207 0.683833 2.175354
H -2.773503 -2.414641 0.161416
H -2.776337 -1.596129 -1.426683
H -0.741449 0.527784 -1.475690
H 0.101025 0.610408 0.095985
H -5.161692 -1.916212 0.601424
H -5.805581 -0.266114 0.405540
H -5.262716 -1.190607 -1.026714
H -4.065489 3.070030 -0.342965
H -5.383904 1.879181 -0.492285
H -4.549550 2.094620 1.070320
H -4.364927 0.704242 -2.392162
H -3.134340 1.994545 -2.401403
H -2.633593 0.288139 -2.453793
H -0.542494 -3.028352 -0.275063
H -0.223754 -2.017851 -1.713207
H 3.699205 -1.146582 1.767373
H 4.314066 -2.265385 0.515379
H 6.435053 -0.850062 -0.033219
H 5.893722 0.000153 1.456745
H 3.551530 1.352641 1.130648
H 2.761509 1.094868 -0.465791
H 6.748276 1.242062 -1.188940
H 6.763633 1.945614 0.447072
H 4.708796 3.055700 -0.151608
H 4.622075 2.102006 -1.658751


