%chk=000050234.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050234

0 1
 N    2.556600      0.2458000      -1.447600    
 C   0.1232000     -0.4932000      0.2258000    
 C   -1.548500      0.3226000      -1.495800    
 C   -2.329000      -1.100900      0.4318000    
 C   -1.588400       1.273500      0.8377000    
 C  -0.1072000     -0.1658000      -1.268600    
 C  -0.8855000      -1.585400      0.6537000    
 C  -0.1470000      0.7823000       1.058700    
 C   -2.530600     -0.7767000      -1.057800    
 C   -1.793600       1.585800     -0.6539000    
 C   -2.570100      0.1695000       1.264000    
 C    1.558000     -0.9788000      0.4481000    
 C    2.662900      1.2000001E-03 -4.1000000E-03
 C    4.035600     -0.6289000      0.2850000    
 C    2.563500       1.349100      0.7229000    
 H   -1.701000      0.5510000      -2.556900    
 H   -3.032500      -1.882900      0.7385000    
 H   -1.770700       2.175900       1.432700    
 H   0.1007000      -1.034000      -1.905500    
 H   0.4744000      0.6856000      -1.617500    
 H  -0.7417000      -1.841400       1.711300    
 H  -0.7149000      -2.505800      8.0499999E-02
 H   0.3993000       1.659000      0.7582000    
 H   2.4000000E-02  0.6004000       2.126600    
 H   -3.562500     -0.4487000      -1.233300    
 H   -2.376100      -1.679000      -1.662000    
 H   -1.115100       2.388000     -0.9693000    
 H   -2.814000       1.952500     -0.8207000    
 H   -3.602800      0.5143000       1.130000    
 H   -2.444300     -5.2000001E-02   2.330900    
 H    1.697900      -1.205800       1.514600    
 H    1.694400      -1.936300     -7.5599998E-02
 H    4.144300      -1.598500     -0.2154000    
 H    4.856700      1.1500000E-02 -5.8800001E-02
 H    4.172300     -0.7936000       1.360000    
 H    3.572100       1.782000      0.8065000    
 H    2.039800       2.122200      0.1517000    
 H    2.226700       1.263900       1.760000    
 H    2.695100     -0.6265000      -1.957200    
 H    3.303500      0.8707000      -1.749500    


%chk=000050234-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050234

0 1
N 2.920706 -0.087956 -1.539845
C 0.104038 -0.325799 0.183482
C -1.685067 0.492262 -1.452106
C -2.324089 -1.183585 0.335939
C -1.799679 1.204766 0.978981
C -0.187670 0.113937 -1.282340
C -0.825655 -1.544653 0.507222
C -0.302170 0.830823 1.152647
C -2.577170 -0.736536 -1.129148
C -2.045103 1.654542 -0.487150
C -2.689293 -0.024080 1.300561
C 1.568586 -0.811375 0.423806
C 2.837709 -0.027634 -0.049874
C 4.070981 -0.728330 0.610286
C 2.861015 1.467603 0.348221
H -1.860712 0.812374 -2.498881
H -2.944601 -2.072430 0.568697
H -2.049224 2.035668 1.669414
H 0.069335 -0.714205 -1.973732
H 0.465915 0.957621 -1.566130
H -0.636627 -1.890045 1.545691
H -0.567651 -2.388258 -0.166787
H 0.314645 1.728252 0.967511
H -0.111644 0.515996 2.200690
H -3.647494 -0.482524 -1.270355
H -2.342741 -1.567649 -1.825130
H -1.426167 2.545096 -0.718874
H -3.106078 1.948025 -0.622454
H -3.760614 0.240204 1.190811
H -2.535551 -0.340325 2.352460
H 1.678826 -0.968343 1.518264
H 1.657916 -1.824970 -0.029594
H 4.079130 -1.809808 0.373868
H 5.011328 -0.286985 0.227664
H 4.066690 -0.619710 1.711969
H 3.846302 1.909264 0.099362
H 2.091745 2.031916 -0.202965
H 2.697355 1.596747 1.432641
H 2.840706 -1.047000 -1.902098
H 3.767569 0.369705 -1.903025


