%chk=000046457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046457

0 1
 N    2.006800       1.126300     -2.6900001E-02
 C    1.157800      5.6800000E-02 -0.5628000    
 C    1.706300      -1.268300     -9.1000004E-03
 C   0.7720000      -2.421300     -0.3469000    
 C  -0.3259000      0.2495000     -0.2856000    
 C  -0.5741000      -2.212400      0.3378000    
 C   -1.139400     -0.8323000      0.1115000    
 C  -0.9328000       1.499700     -0.5052000    
 C   -2.509700     -0.6265000      0.3441000    
 C    3.409400      0.8622000     -0.3372000    
 C    1.812600       1.251800       1.415300    
 C   -2.298000       1.687700     -0.2835000    
 C   -3.085000      0.6268000      0.1485000    
 H    1.252500      4.0100001E-02  -1.658000    
 H    1.836100      -1.284600       1.077100    
 H    2.674900      -1.518900     -0.4572000    
 H    1.207700      -3.372500     -2.0400001E-02
 H   0.6378000      -2.484900      -1.434200    
 H  -0.4641000      -2.364100       1.418900    
 H   -1.275900      -2.969200     -3.3100002E-02
 H  -0.3423000       2.344000     -0.8536000    
 H   -3.138200      -1.450400      0.6740000    
 H    3.988100       1.776300     -0.1566000    
 H    3.551300      0.6243000      -1.397800    
 H    3.873900      8.0700003E-02  0.2745000    
 H    2.330700       2.159200       1.752300    
 H    2.230300      0.4355000       2.012200    
 H   0.7706000       1.401300       1.712900    
 H   -2.744700       2.663600     -0.4502000    
 H   -4.146400      0.7720000      0.3254000    


%chk=000046457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046457

0 1
N 2.000651 1.088921 0.044677
C 1.202036 -0.082347 -0.418647
C 1.654888 -1.456483 0.154519
C 0.699892 -2.575229 -0.310855
C -0.306442 0.154242 -0.212082
C -0.705025 -2.345203 0.284289
C -1.200736 -0.914243 0.084585
C -0.825174 1.463880 -0.379296
C -2.587063 -0.636450 0.206293
C 3.357315 1.156718 -0.524334
C 1.978723 1.336602 1.498303
C -2.203822 1.728808 -0.251135
C -3.094250 0.669296 0.043702
H 1.369110 -0.125921 -1.518175
H 1.656616 -1.421204 1.262247
H 2.691383 -1.667159 -0.170128
H 1.082479 -3.567721 -0.005452
H 0.644091 -2.575401 -1.418599
H -0.671399 -2.567636 1.371940
H -1.433868 -3.055277 -0.151800
H -0.112063 2.266829 -0.597104
H -3.275060 -1.462201 0.429996
H 3.796063 2.148564 -0.307588
H 3.308185 1.038030 -1.622270
H 4.064049 0.385874 -0.126145
H 2.394318 2.341002 1.702398
H 2.571817 0.600259 2.094544
H 0.937668 1.318123 1.863508
H -2.582660 2.748891 -0.382225
H -4.169424 0.858835 0.141032


