%chk=000080616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080616

0 1
 S   0.2591000     -8.0600001E-02   1.075100    
 N    2.109400       2.264400      0.2485000    
 C  -0.6595000     -0.1578000     -0.4927000    
 C   -2.136600     -0.1000000     -0.2929000    
 C    1.911200     -0.1715000      0.4582000    
 C    2.660200      0.9694000      0.1130000    
 C   -2.790800       1.131900     -0.2801000    
 C   -2.863500      -1.277500     -0.1185000    
 C    2.510400      -1.434400      0.3028000    
 C    3.963000      0.8500000     -0.3708000    
 C   -4.172000       1.186100     -9.3099996E-02
 C   -4.244800      -1.223200      6.8400003E-02
 C    3.813200      -1.553800     -0.1810000    
 C    4.539600     -0.4116000     -0.5180000    
 C   -4.899000      8.6000003E-03  8.1100002E-02
 H  -0.3913000      -1.080700      -1.020800    
 H  -0.3387000      0.6682000      -1.138800    
 H   -2.236100       2.057000     -0.4135000    
 H   -2.366100      -2.243800     -0.1252000    
 H    1.965700      -2.341300      0.5577000    
 H    4.541200       1.731200     -0.6374000    
 H   -4.681400       2.145300     -8.2800001E-02
 H   -4.810900      -2.140100      0.2044000    
 H    4.262200      -2.536000     -0.2958000    
 H    5.553900     -0.5049000     -0.8948000    
 H   -5.974500      5.0799999E-02  0.2269000    
 H    2.654000       3.078100     -4.4000000E-03
 H    1.164500       2.373700      0.5923000    


%chk=000080616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080616

0 1
S 0.270626 -0.353660 1.116505
N 1.860391 2.115623 0.226578
C -0.677914 -0.329734 -0.582664
C -2.153851 -0.148289 -0.348847
C 1.995256 -0.321453 0.461714
C 2.583587 0.933257 0.095700
C -2.731533 1.148496 -0.330487
C -2.993463 -1.271540 -0.127815
C 2.731136 -1.519018 0.335643
C 3.916721 0.931239 -0.412654
C -4.114755 1.319276 -0.102201
C -4.376832 -1.104044 0.102317
C 4.053813 -1.508833 -0.162690
C 4.634616 -0.273614 -0.539763
C -4.942054 0.192583 0.115752
H -0.438301 -1.290205 -1.064652
H -0.232843 0.496834 -1.159287
H -2.092722 2.023943 -0.501199
H -2.557341 -2.277789 -0.135148
H 2.256418 -2.460115 0.633910
H 4.382142 1.882027 -0.700493
H -4.547623 2.326000 -0.096194
H -5.012735 -1.980694 0.269118
H 4.617237 -2.442578 -0.254649
H 5.658487 -0.247858 -0.930763
H -6.015492 0.323780 0.292492
H 2.297024 3.013181 0.037319
H 0.972402 2.080685 0.730258


