%chk=000042904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042904

0 1
 N   0.9645000      -1.067800      0.6014000    
 N   -4.438200     -0.9240000     -0.6095000    
 C   -1.188800      0.2179000      0.9950000    
 C   0.2402000      9.0499997E-02  0.5743000    
 C   -1.525000       1.720300       1.177700    
 C    1.048300       1.098800      8.9400001E-02
 C  -0.9506000       2.606900      5.4800000E-02
 C   0.5834000       2.509000     -3.7599999E-02
 C   -2.116300     -0.4375000     -3.0200001E-02
 C    2.319100      0.5246000     -0.1987000    
 C    2.238000     -0.8329000      0.1294000    
 C   -3.576600     -0.2763000      0.3721000    
 C   0.5323000      -2.346900       1.123200    
 C    3.536000       1.026800     -0.7025000    
 C    3.315600      -1.712200     -2.7300000E-02
 C    4.621000      0.1578000     -0.8641000    
 C    4.510100      -1.190300     -0.5315000    
 C   -4.273900     -0.3066000      -1.926800    
 C   -5.839200     -0.8580000     -0.1894000    
 H   -1.333900     -0.2638000       1.970100    
 H   -1.055900       2.051300       2.116700    
 H   -2.585500       1.929600       1.320000    
 H   -1.232500       3.651900      0.2280000    
 H   -1.397500       2.315600     -0.9034000    
 H    1.032100       3.099100      0.7709000    
 H   0.9210000       2.942300     -0.9855000    
 H   -1.880900      -1.504700     -0.1295000    
 H   -1.910200      1.4000000E-02  -1.006600    
 H   -3.877400      0.7710000      0.4516000    
 H   -3.722800     -0.7383000       1.356500    
 H    1.314400      -2.748700       1.773000    
 H  -0.3805000      -2.237500       1.709600    
 H   0.3555000      -3.015200      0.2766000    
 H    3.638100       2.075700     -0.9658000    
 H    3.239400      -2.764000      0.2272000    
 H    5.560500      0.5409000      -1.253600    
 H    5.365400      -1.847800     -0.6653000    
 H   -3.321600     -0.5786000      -2.391800    
 H   -4.364000      0.7854000      -1.894800    
 H   -5.038000     -0.6802000      -2.619800    
 H   -6.200900      0.1740000     -0.1138000    
 H   -5.972800      -1.343200      0.7841000    
 H   -6.479400      -1.397400     -0.8963000    


%chk=000042904-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042904

0 1
N 0.910957 -1.047773 0.549846
N -4.472056 -1.036666 -0.614454
C -1.188410 0.431192 0.900248
C 0.262020 0.211169 0.538070
C -1.386585 1.957766 1.162459
C 1.167179 1.196995 0.136778
C -0.733489 2.839945 0.068171
C 0.806759 2.659975 0.038667
C -2.153952 -0.130977 -0.191839
C 2.432467 0.541717 -0.119009
C 2.240418 -0.863926 0.142796
C -3.623042 -0.206740 0.276805
C 0.332443 -2.338106 0.922199
C 3.709149 0.992544 -0.544276
C 3.279469 -1.807498 -0.011803
C 4.750833 0.055092 -0.698726
C 4.538375 -1.330135 -0.435572
C -4.612801 -0.471177 -1.972666
C -5.789667 -1.314355 -0.005019
H -1.418589 -0.104530 1.848641
H -0.934631 2.214595 2.141251
H -2.466985 2.183045 1.236818
H -0.985687 3.902501 0.247154
H -1.153113 2.573582 -0.922089
H 1.261207 3.223901 0.880929
H 1.221492 3.105294 -0.887584
H -1.843504 -1.153980 -0.476870
H -2.057601 0.492377 -1.100478
H -4.045040 0.826931 0.391410
H -3.648485 -0.675043 1.281799
H 1.006415 -2.873578 1.615651
H -0.630856 -2.184531 1.432893
H 0.157542 -2.980406 0.037400
H 3.884919 2.055048 -0.749192
H 3.123547 -2.874796 0.180860
H 5.741064 0.390857 -1.027209
H 5.366355 -2.036039 -0.567464
H -3.626760 -0.392095 -2.459749
H -5.087270 0.544651 -1.977815
H -5.238592 -1.143464 -2.586301
H -6.409394 -0.394528 0.156218
H -5.650681 -1.807639 0.973818
H -6.362920 -1.999696 -0.654966


