%chk=000042919.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042919

0 1
 N    2.168600      -1.983200     -0.6661000    
 N   -4.159600       1.261100     -0.5003000    
 C   -1.212500     -0.9906000      0.4161000    
 C   0.2558000      -1.040500      1.4000000E-02
 C   -1.923400      -2.322000     -1.7800000E-02
 C   -1.974800      0.1583000     -0.2686000    
 C   0.8587000      -2.225900     -0.3746000    
 C   -1.098300      -3.586100      0.2707000    
 C    1.285600     -3.2299999E-02 -1.0800000E-02
 C   0.2296000      -3.566900     -0.4932000    
 C   -1.333300     -0.8337000       1.945900    
 C    1.171200       1.433600      0.3178000    
 C    2.453600     -0.6665000     -0.4186000    
 C   -3.431600      0.2088000      0.1527000    
 C   0.9490000       2.282700     -0.9377000    
 C    2.337000       1.982400       1.109500    
 C    3.785000     -0.2327000     -0.6064000    
 C    3.644900       1.713800      0.9741000    
 C    4.284300      0.8511000      4.9000001E-03
 C   0.8686000       3.756200     -0.5959000    
 C   -5.579400       1.252100     -0.1135000    
 C   -3.579300       2.580300     -0.2023000    
 H   -2.139200      -2.299300      -1.095100    
 H   -2.883300      -2.441600      0.4978000    
 H   -1.895100      6.9399998E-02  -1.360600    
 H   -1.496100       1.098700      1.5000000E-03
 H   -1.668600      -4.478000     -1.3200000E-02
 H  -0.9072000      -3.662300       1.348100    
 H   4.7800001E-02  -3.783800      -1.552600    
 H   0.8920000      -4.347900     -0.1040000    
 H   -2.334500      -1.069100       2.320800    
 H  -0.6435000      -1.510100       2.465800    
 H   -1.079800      0.1815000       2.270300    
 H   0.3069000       1.555400      0.9805000    
 H    2.832400      -2.680200     -0.9768000    
 H   -3.924200     -0.7326000     -0.1082000    
 H   -3.522600      0.3284000       1.238000    
 H   2.7300000E-02   1.978500      -1.446400    
 H    1.757600       2.130100      -1.664300    
 H    2.066200       2.687200       1.896000    
 H    4.437800     -0.8062000      -1.259900    
 H    4.336500       2.225800       1.640800    
 H    5.326700       1.099400     -0.1888000    
 H   0.1233000       3.946700      0.1833000    
 H    1.830500       4.165500     -0.2722000    
 H   0.5675000       4.323200      -1.483700    
 H   -5.714800       1.434700      0.9587000    
 H   -6.038900      0.2889000     -0.3622000    
 H   -6.134200       2.015800     -0.6696000    
 H   -2.615200       2.720600     -0.7005000    
 H   -3.459600       2.748800      0.8741000    
 H   -4.221200       3.377200     -0.5973000    


%chk=000042919-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042919

0 1
N 2.094783 -1.972215 -0.907490
N -4.163602 1.302834 -0.571897
C -1.199258 -1.028827 0.579888
C 0.242666 -1.082680 0.056552
C -1.921787 -2.379193 0.231738
C -1.972799 0.142815 -0.122230
C 0.793433 -2.250712 -0.508353
C -1.041797 -3.642180 0.374137
C 1.271668 -0.064960 0.018630
C 0.133385 -3.595023 -0.632713
C -1.177522 -0.834684 2.127252
C 1.199528 1.407408 0.396167
C 2.427536 -0.644828 -0.573214
C -3.464855 0.280020 0.250529
C 1.086867 2.318838 -0.870466
C 2.377527 1.806440 1.285438
C 3.750860 -0.120285 -0.797706
C 3.712641 1.681149 0.979646
C 4.320242 0.947203 -0.123184
C 0.821129 3.800473 -0.530250
C -5.630405 1.208083 -0.420625
C -3.686548 2.679495 -0.325549
H -2.285979 -2.327915 -0.815702
H -2.815507 -2.482153 0.876306
H -1.909914 -0.000849 -1.218531
H -1.457113 1.092284 0.103479
H -1.654573 -4.546464 0.196462
H -0.641456 -3.715391 1.403754
H -0.255016 -3.761264 -1.659960
H 0.853459 -4.413371 -0.429283
H -2.200956 -0.811129 2.545314
H -0.625741 -1.658893 2.614470
H -0.672783 0.107933 2.406673
H 0.281250 1.573823 0.990727
H 2.752980 -2.655963 -1.277714
H -3.979493 -0.681911 0.069422
H -3.569878 0.507158 1.344532
H 0.270199 1.924533 -1.507351
H 2.020195 2.226872 -1.456740
H 2.124081 2.302174 2.233519
H 4.382524 -0.665527 -1.515274
H 4.426291 2.153554 1.671879
H 5.365480 1.190270 -0.356760
H -0.122746 3.917118 0.038805
H 1.639688 4.220782 0.081843
H 0.737247 4.410728 -1.448395
H -5.987495 1.422083 0.620522
H -5.967988 0.192051 -0.693622
H -6.122393 1.925935 -1.101636
H -2.619208 2.774072 -0.587420
H -3.814529 3.003484 0.740463
H -4.250118 3.381504 -0.965882


