%chk=000021180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021180

0 1
 S   -3.065400      -2.567900      0.5885000    
 N  -0.7473000       2.812700     -0.1428000    
 N    3.977500     -0.6330000      3.5599999E-02
 C   0.6579000       1.133800     -0.5092000    
 C    1.882400      0.3767000     -0.8394000    
 C  -0.6049000      0.5863000     -0.1482000    
 C    2.761300      8.9900002E-02  0.3918000    
 C   -1.468500       1.660600      7.6300003E-02
 C   0.5388000       2.504500     -0.4969000    
 C   -1.097800     -0.7243000      9.4999997E-03
 C   -2.805400       1.489100      0.4520000    
 C   -2.432900     -0.9111000      0.3854000    
 C   -3.271900      0.1800000      0.6026000    
 C    3.650300      -1.937000     -0.5430000    
 C    4.839600     -0.7985000       1.206800    
 C   -2.813800      -3.261800      -1.069000    
 H    1.574200     -0.5516000      -1.332500    
 H    2.468500      0.9355000      -1.581400    
 H    2.179700     -0.4601000       1.144600    
 H    3.031200       1.051500      0.8488000    
 H    1.252400       3.289100     -0.7074000    
 H   -1.114800       3.750000     -5.4600000E-02
 H  -0.4356000      -1.570600     -0.1526000    
 H   -3.459300       2.338000      0.6213000    
 H   -4.309800      3.2400001E-02  0.8946000    
 H    3.215100      -1.842100      -1.542200    
 H    2.971500      -2.518300      9.1700003E-02
 H    4.561900      -2.530000     -0.6860000    
 H    5.776400      -1.294300      0.9293000    
 H    4.357200      -1.387500       1.995400    
 H    5.115100      0.1767000       1.623800    
 H   -3.254100      -4.261700      -1.108800    
 H   -1.748100      -3.343900      -1.297800    
 H   -3.300500      -2.635600      -1.821800    


%chk=000021180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021180

0 1
S -2.758681 -2.789905 0.673058
N -0.814069 2.826499 -0.296393
N 4.097719 -0.604170 0.172118
C 0.763356 1.190101 -0.596628
C 2.072399 0.492147 -0.873790
C -0.495013 0.567717 -0.211423
C 2.754761 -0.026619 0.420702
C -1.464706 1.618451 -0.030213
C 0.523948 2.563474 -0.637405
C -0.896949 -0.780164 -0.011088
C -2.799959 1.357093 0.350970
C -2.227958 -1.044720 0.363362
C -3.169750 0.012503 0.550710
C 4.055914 -1.871555 -0.586319
C 4.871989 -0.748798 1.423085
C -3.571034 -3.172908 -0.994485
H 1.898705 -0.353317 -1.567841
H 2.781258 1.176992 -1.374483
H 2.076128 -0.758370 0.931905
H 2.877118 0.829474 1.110374
H 1.208095 3.372421 -0.888316
H -1.241895 3.748595 -0.258566
H -0.192312 -1.607988 -0.141764
H -3.527791 2.162908 0.497284
H -4.188335 -0.235839 0.866582
H 3.592671 -1.715670 -1.575194
H 3.486015 -2.679560 -0.058070
H 5.086188 -2.233312 -0.753516
H 5.893604 -1.099353 1.189463
H 4.417552 -1.471934 2.148152
H 4.953748 0.231558 1.925439
H -3.952244 -4.204490 -0.925884
H -2.825830 -3.097667 -1.801073
H -4.403742 -2.476092 -1.176355


