%chk=000021698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021698

1 1
 S  -1.4000000E-02   1.164100       1.686600    
 N   -1.824600     -0.7399000      0.7192000    
 N   -4.362300       1.759600     -0.3946000    
 N   0.2137000      -1.455800      0.8417000    
 C   -2.985300      0.1302000      0.8056000    
 C   -3.185400      0.9064000     -0.4904000    
 C   -1.849500      -2.045600      0.2741000    
 C  -0.5765000     -0.3991000       1.056900    
 C  -0.5336000      -2.507800      0.3532000    
 C   -4.560300       2.508500      -1.637400    
 C   -4.242500       2.680200      0.7379000    
 C    5.622600       1.059700     -0.5451000    
 C    4.236200       1.085600      3.8000001E-03
 C   -2.894700      -2.840900     -0.1809000    
 C    5.965600     -0.2193000      -1.357300    
 C  -0.1711000      -3.797500     -1.7200001E-02
 C    1.650600       1.133500       1.027400    
 C    5.906300       2.290900      -1.431700    
 C   -4.687400       1.572900      -2.827700    
 C   -5.493000       3.529800      0.8895000    
 C    4.032900       1.164800       1.381400    
 C    3.142700       1.030300     -0.8605000    
 C   -2.544500      -4.145200     -0.5583000    
 C   -1.215100      -4.612000     -0.4785000    
 C    2.736200       1.188800       1.894800    
 C    1.846000       1.054400     -0.3471000    
 C    5.787200      -1.496500     -0.5454000    
 H   -2.814200      0.7645000       1.677900    
 H   -3.869800     -0.4752000       1.038600    
 H   -2.283300       1.487200     -0.7224000    
 H   -3.297200      0.1591000      -1.282800    
 H    1.212800      -1.492000       1.022800    
 H    6.336800       1.107500      0.2888000    
 H   -5.498300       3.071900      -1.602800    
 H   -3.748700       3.224700      -1.817700    
 H   -4.177700       2.142300       1.686700    
 H   -3.358300       3.324400      0.6555000    
 H   -3.913100      -2.479600     -0.2443000    
 H    7.008900     -0.1625000      -1.692200    
 H    5.348200     -0.2838000      -2.261300    
 H   0.8524000      -4.143100      4.8700001E-02
 H    5.700000       3.218600     -0.8862000    
 H    6.957800       2.310300      -1.738100    
 H    5.294000       2.292900      -2.339900    
 H   -3.725900       1.146700      -3.130400    
 H   -5.394400      0.7591000      -2.632800    
 H   -5.064800       2.130700      -3.692400    
 H   -5.557500       4.318100      0.1332000    
 H   -6.404300       2.923000      0.8505000    
 H   -5.479100       4.034100       1.862600    
 H    4.873600       1.207800       2.068700    
 H    3.277700      0.9680000      -1.936700    
 H   -3.318300      -4.816700     -0.9239000    
 H  -0.9953000      -5.632600     -0.7839000    
 H    2.595600       1.249900       2.970900    
 H    1.007100       1.014400      -1.037300    
 H    6.123600      -2.359800      -1.128600    
 H    6.377300      -1.461300      0.3759000    
 H    4.739300      -1.665600     -0.2803000    


%chk=000021698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021698

1 1
S 0.119820 1.548777 0.592875
N -1.789989 -0.465887 0.184527
N -4.691226 1.906841 -0.422253
N 0.287973 -1.158951 -0.223359
C -2.948986 0.416079 0.473794
C -3.561830 1.050949 -0.809490
C -1.877086 -1.826894 -0.219405
C -0.475001 -0.089389 0.163718
C -0.547575 -2.271742 -0.471994
C -5.936462 1.689414 -1.209282
C -4.324452 3.338567 -0.224199
C 6.281472 0.826339 0.172465
C 4.761051 0.948801 0.259646
C -2.983877 -2.683893 -0.367996
C 6.738323 -0.177599 -0.927226
C -0.269818 -3.588320 -0.882586
C 1.948005 1.246088 0.445722
C 6.924777 2.223241 -0.054168
C -6.607645 0.335626 -0.912467
C -5.226495 4.062882 0.791760
C 4.079283 0.699095 1.480236
C 3.993392 1.353214 -0.867933
C -2.708521 -4.005424 -0.779604
C -1.378885 -4.448527 -1.032212
C 2.678033 0.849483 1.587992
C 2.593638 1.508879 -0.785297
C 6.255461 -1.625257 -0.699773
H -2.621583 1.209294 1.168402
H -3.717813 -0.178614 0.992391
H -2.767341 1.607486 -1.358289
H -3.907771 0.242700 -1.479413
H 1.306636 -1.116184 -0.300403
H 6.645263 0.438578 1.145435
H -6.640668 2.494919 -0.938913
H -5.746364 1.788051 -2.305865
H -3.280876 3.369814 0.146313
H -4.329649 3.889568 -1.195895
H -4.008340 -2.353336 -0.174723
H 7.844822 -0.160154 -0.957347
H 6.400785 0.182390 -1.920129
H 0.748670 -3.935910 -1.076972
H 6.639254 2.935861 0.739716
H 8.025937 2.137880 -0.059352
H 6.615917 2.653561 -1.024850
H -5.958835 -0.519534 -1.184138
H -6.858033 0.257161 0.159743
H -7.539051 0.234948 -1.498133
H -6.277706 4.106116 0.456585
H -5.201577 3.548405 1.767968
H -4.883299 5.104047 0.931654
H 4.651767 0.395412 2.363741
H 4.491830 1.562510 -1.820417
H -3.537345 -4.707915 -0.907916
H -1.213163 -5.482207 -1.349862
H 2.171141 0.675256 2.542402
H 2.018899 1.845481 -1.654145
H 6.643332 -2.297404 -1.485688
H 6.605723 -2.013755 0.274832
H 5.151159 -1.693714 -0.713423


