%chk=000030986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030986

0 1
 S  -0.2670000      -1.392300     -0.9906000    
 S   0.2638000      -1.398900      0.9948000    
 N   -3.931100      0.2873000     -0.5583000    
 N    3.934600      0.2874000      0.5584000    
 C   -2.886600     -0.7323000     -0.5302000    
 C    2.887700     -0.7334000      0.5296000    
 C   -3.808700       1.179900      0.5949000    
 C   -5.255500     -0.3344000     -0.5824000    
 C    3.807500       1.182400     -0.5911000    
 C    5.256900     -0.3368000      0.5765000    
 C   -1.571300     -0.1391000      -1.019400    
 C    1.574000     -0.1414000       1.024700    
 C   -4.849400       2.285600      0.5463000    
 C   -5.502100      -1.150000      0.6755000    
 C    4.849900       2.286700     -0.5451000    
 C    5.497100      -1.150700     -0.6837000    
 H   -2.767300      -1.160500      0.4726000    
 H   -3.150200      -1.557900      -1.205800    
 H    2.765300      -1.157600     -0.4746000    
 H    3.153000      -1.561200       1.201700    
 H   -2.837600       1.686300      0.5608000    
 H   -3.836200      0.6677000       1.563200    
 H   -5.331600     -0.9928000      -1.457600    
 H   -6.053200      0.4014000     -0.7288000    
 H    2.837200       1.690000     -0.5509000    
 H    3.829900      0.6730000      -1.561100    
 H    5.335300     -0.9968000       1.450400    
 H    6.056800      0.3971000      0.7208000    
 H   -1.682000      0.1933000      -2.058100    
 H   -1.239100      0.7293000     -0.4444000    
 H    1.686300      0.1861000       2.064700    
 H    1.239300      0.7286000      0.4534000    
 H   -4.886100       2.764700     -0.4383000    
 H   -5.851800       1.932000      0.8056000    
 H   -4.592900       3.062400       1.275600    
 H   -4.766300      -1.942600      0.8369000    
 H   -5.577000     -0.5415000       1.580900    
 H   -6.470500      -1.655700      0.5760000    
 H    4.891700       2.763900      0.4402000    
 H    5.850600       1.932200     -0.8096000    
 H    4.591200       3.065300      -1.271700    
 H    4.760900      -1.943500     -0.8423000    
 H    5.567100     -0.5410000      -1.588700    
 H    6.466100      -1.656200     -0.5898000    


%chk=000030986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030986

0 1
S -0.316418 -1.543537 -1.097246
S 0.314492 -1.547138 1.088292
N -4.018647 0.261597 -0.280553
N 4.017481 0.260176 0.279621
C -2.993583 -0.806909 -0.372240
C 2.992609 -0.808803 0.368253
C -3.895737 1.078455 0.953208
C -5.393158 -0.169159 -0.635450
C 3.896183 1.078658 -0.953200
C 5.391572 -0.170510 0.636189
C -1.715895 -0.259600 -1.034654
C 1.713896 -0.262892 1.029824
C -4.640960 2.423525 0.873387
C -6.080888 -1.150447 0.353786
C 4.641236 2.423654 -0.870569
C 6.081452 -1.149983 -0.353369
H -2.733522 -1.236448 0.622811
H -3.384489 -1.638236 -0.987112
H 2.733990 -1.236813 -0.627826
H 3.382959 -1.640985 0.982317
H -2.818539 1.281014 1.104851
H -4.232951 0.518398 1.861415
H -5.343313 -0.638440 -1.636840
H -6.021033 0.733664 -0.751301
H 2.819175 1.281364 -1.106004
H 4.234630 0.519843 -1.861718
H 5.340176 -0.641378 1.636750
H 6.018859 0.732402 0.754556
H -1.899893 0.005031 -2.091604
H -1.332031 0.631923 -0.512460
H 1.896367 -0.000222 2.087521
H 1.330671 0.629582 0.508758
H -4.324705 2.983008 -0.024850
H -5.737089 2.291313 0.829155
H -4.417654 3.034976 1.767023
H -5.494898 -2.081280 0.467099
H -6.203833 -0.700208 1.355595
H -7.086021 -1.425267 -0.017197
H 4.323760 2.981936 0.027986
H 5.737310 2.291418 -0.825036
H 4.419101 3.036294 -1.763682
H 5.495920 -2.080783 -0.469341
H 6.206162 -0.698040 -1.354188
H 7.085956 -1.425156 0.019044


