%chk=000045409.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045409

0 1
 S  -0.4188000      -1.279600      0.9116000    
 S    1.161800      -2.310200      0.1006000    
 N   -4.264500      -2.412100      5.2999999E-02
 N    1.993000      0.7884000      -2.436700    
 C   -3.196100      -1.567500      0.6328000    
 C    1.821200      9.6000001E-02  -1.150600    
 C   -1.836000      -2.158900      0.1748000    
 C    1.468400      -1.379500      -1.420100    
 C   -3.409400     -0.1266000      0.3112000    
 C    3.047000      0.2994000     -0.2769000    
 C   -4.207800      0.6621000       1.139600    
 C    3.117700       1.419700      0.5282000    
 C   -2.810800      0.4319000     -0.8180000    
 C    4.057800     -0.6413000     -0.3113000    
 C   -4.407600       2.009500      0.8386000    
 C    4.243500       1.606700       1.330300    
 C   -3.010400       1.779300      -1.118900    
 C    5.183600     -0.4546000      0.4908000    
 C   -3.808900       2.567900     -0.2906000    
 C    5.276400      0.6695000       1.311600    
 H   -3.247700      -1.693600       1.723400    
 H   0.9694000      0.5864000     -0.6658000    
 H   -1.743800      -2.161600     -0.9168000    
 H   -1.776200      -3.203500      0.5052000    
 H    2.244000      -1.895900      -1.995900    
 H   0.5627000      -1.440600      -2.036700    
 H   -4.681500      0.2396000       2.021800    
 H    2.319000       2.155200      0.5486000    
 H   -2.203900     -0.1487000      -1.504700    
 H    4.044000      -1.511600     -0.9568000    
 H   -5.161500      -2.146500      0.4588000    
 H   -4.111700      -3.384000      0.3204000    
 H    1.143200      0.6896000      -2.991400    
 H    2.729900      0.3332000      -2.975200    
 H   -5.029800       2.623500       1.483100    
 H    4.316100       2.482200       1.968800    
 H   -2.548900       2.213300      -2.001100    
 H    5.991700      -1.180100      0.4713000    
 H   -3.965600       3.616600     -0.5258000    
 H    6.153800      0.8159000       1.934700    


%chk=000045409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045409

0 1
S -0.742451 0.423262 -0.849252
S 0.574688 -0.988207 0.354642
N -3.900221 -2.291980 -0.821904
N 3.625469 -0.704211 -2.561206
C -3.071736 -1.188272 -0.283469
C 2.817285 -0.335356 -1.380580
C -2.085927 -0.784940 -1.412547
C 1.830713 -1.475460 -0.991775
C -3.963529 -0.019593 0.137516
C 3.739920 0.057037 -0.225968
C -3.657909 0.734640 1.296396
C 3.744941 1.379272 0.277702
C -5.090625 0.345261 -0.643346
C 4.619859 -0.893875 0.353878
C -4.459976 1.837033 1.669928
C 4.606221 1.748798 1.335273
C -5.896007 1.443544 -0.269169
C 5.487579 -0.528511 1.406690
C -5.582680 2.194472 0.888517
C 5.482803 0.795962 1.902369
H -2.455190 -1.492012 0.595347
H 2.202705 0.543914 -1.653595
H -2.621406 -0.265938 -2.227329
H -1.575242 -1.672214 -1.826060
H 2.361212 -2.348124 -0.566112
H 1.251156 -1.803738 -1.872281
H -2.784368 0.462987 1.900405
H 3.067095 2.121496 -0.159748
H -5.329935 -0.247093 -1.533730
H 4.629546 -1.930899 -0.008406
H -4.719647 -2.513901 -0.248063
H -3.366654 -3.127847 -1.081075
H 3.102761 -0.950160 -3.404972
H 4.440287 -1.294312 -2.382058
H -4.210309 2.413925 2.567632
H 4.592790 2.776340 1.715782
H -6.766206 1.715048 -0.878134
H 6.161715 -1.274221 1.843504
H -6.207234 3.047141 1.178714
H 6.151812 1.080232 2.722387


