%chk=000025391.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025391

0 1
 N   0.2113000      0.1976000      -1.730200    
 N   -4.418800       1.293600     -7.1599998E-02
 C   0.4631000      0.3297000     -0.2594000    
 C  -0.6379000       1.280500      0.2644000    
 C   0.1533000      -1.069000      0.2601000    
 C   0.2649000      -1.227200      -2.100700    
 C   3.0300001E-02  -1.954300     -0.8165000    
 C    1.897200      0.7559000      0.1121000    
 C   -2.018100      0.8107000     -0.1766000    
 C   0.9240000       1.076700      -2.636600    
 C   1.0500000E-02  -1.514400       1.565800    
 C   -3.102200       1.737200      0.3712000    
 C  -0.2298000      -3.298700     -0.6175000    
 C    2.977400      5.7999999E-03 -0.3397000    
 C    2.098600       1.887100      0.8955000    
 C  -0.2610000      -2.867900       1.777400    
 C  -0.3796000      -3.753300      0.6940000    
 C    4.275100      0.3914000     -3.8999999E-03
 C    3.396400       2.272700       1.231200    
 C    4.484700       1.524800      0.7814000    
 C   -5.460000       2.196400      0.4224000    
 C   -4.679400     -7.5300001E-02  0.3770000    
 H  -0.6212000       1.338800       1.361100    
 H  -0.4810000       2.299200     -0.1156000    
 H    1.239500      -1.515300      -2.510100    
 H  -0.5205000      -1.454100      -2.828400    
 H   -2.111300      0.7908000      -1.268700    
 H   -2.185200     -0.2022000      0.1936000    
 H    1.985700      0.8329000      -2.735900    
 H   0.8321000       2.122300      -2.324000    
 H   0.4813000       1.012800      -3.637000    
 H   0.1096000     -0.8375000       2.407300    
 H   -3.044100       1.775100       1.467200    
 H   -2.915300       2.753300      1.0000000E-03
 H  -0.3134000      -3.985000      -1.453000    
 H    2.850300     -0.8861000     -0.9435000    
 H    1.289900       2.502300       1.272600    
 H  -0.3778000      -3.242100       2.790900    
 H  -0.5866000      -4.803700      0.8802000    
 H    5.122500     -0.1919000     -0.3520000    
 H    3.560500       3.154800       1.843300    
 H    5.495100       1.824700       1.043500    
 H   -5.283600       3.218200      6.7699999E-02
 H   -5.506600       2.214100       1.517300    
 H   -6.442500       1.898900      3.9099999E-02
 H   -4.112000     -0.8108000     -0.2016000    
 H   -5.730200     -0.3392000      0.2037000    
 H   -4.477500     -0.2145000       1.445400    


%chk=000025391-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025391

0 1
N 0.300469 0.128360 -1.761616
N -4.569891 1.375993 0.083587
C 0.420394 0.240157 -0.256344
C -0.697712 1.175640 0.294204
C 0.207446 -1.221112 0.151953
C 0.560634 -1.257814 -2.215269
C 0.279607 -2.076888 -0.971110
C 1.842541 0.722022 0.166564
C -2.131132 0.702181 -0.021668
C 0.849777 1.196019 -2.600342
C 0.000241 -1.747404 1.441352
C -3.182032 1.704703 0.494648
C 0.131454 -3.470079 -0.826973
C 2.942259 -0.178359 0.107055
C 2.112788 2.068994 0.524623
C -0.152811 -3.146524 1.593747
C -0.089844 -4.002793 0.466649
C 4.255787 0.247631 0.396560
C 3.426519 2.499720 0.820090
C 4.506838 1.592236 0.756402
C -5.499355 2.486625 0.373506
C -5.059719 0.101030 0.645487
H -0.560913 1.281183 1.390495
H -0.562723 2.188051 -0.137705
H 1.616953 -1.413863 -2.557329
H -0.096634 -1.520565 -3.068679
H -2.242531 0.586064 -1.114791
H -2.293148 -0.293516 0.430488
H 1.964220 1.189786 -2.668479
H 0.541279 2.181854 -2.210932
H 0.443138 1.101856 -3.624892
H -0.039640 -1.087436 2.315624
H -3.097474 1.787697 1.613899
H -2.948743 2.707719 0.083801
H 0.185435 -4.134486 -1.697246
H 2.764796 -1.229128 -0.147328
H 1.297614 2.796842 0.586422
H -0.319682 -3.571927 2.589803
H -0.211462 -5.083972 0.598516
H 5.082512 -0.470617 0.348701
H 3.604141 3.544293 1.101578
H 5.525223 1.924389 0.987373
H -5.148699 3.406613 -0.128155
H -5.602929 2.708774 1.467922
H -6.503644 2.244660 -0.019138
H -4.431490 -0.737284 0.302364
H -6.089998 -0.082835 0.291324
H -5.072162 0.091308 1.767156


