%chk=000034447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034447

0 1
 S   0.4837000      -1.887200      -1.416300    
 S  -0.9437000      -2.673900     -0.1548000    
 S    2.517900      -3.630500     -2.3900000E-02
 S  -0.6165000     -0.7963000       2.186800    
 N    4.536600       1.091800      1.7899999E-02
 N   -4.872600      0.7966000     -0.2054000    
 N    2.597000     -0.9797000     -0.1971000    
 N   -2.412100     -0.5616000      0.2415000    
 C    4.685700     -0.1477000      0.7981000    
 C    3.885200      0.8169000      -1.273300    
 C   -4.840400     -0.6732000     -0.1275000    
 C   -3.849700       1.385400      0.6743000    
 C    5.837400       1.727200     -0.1892000    
 C   -6.200600       1.299700      0.1440000    
 C    3.325800     -0.7990000       1.049900    
 C    2.508500      0.1863000      -1.064400    
 C   -3.465400      -1.209200     -0.5265000    
 C   -2.454300      0.8927000      0.2913000    
 C    6.517100       1.990200       1.151700    
 C    5.650700       3.022800     -0.9723000    
 C   -7.250500      0.7234000     -0.8017000    
 C   -6.195400       2.824200      9.3599997E-02
 C    1.945700      -2.133500     -0.4831000    
 C   -1.389800      -1.265500      0.7864000    
 H    5.106200      4.1200001E-02   1.790300    
 H    5.344300     -0.8570000      0.2797000    
 H    4.507100      0.1505000      -1.885900    
 H    3.704700       1.730700      -1.847000    
 H   -5.551700      -1.135700     -0.8182000    
 H   -5.087300      -1.011600      0.8877000    
 H   -4.052100       1.140700       1.725300    
 H   -3.803900       2.474500      0.5827000    
 H    6.500600       1.075100     -0.7743000    
 H   -6.473200       1.002300       1.166100    
 H    2.714800     -0.1335000       1.673500    
 H    3.450900      -1.720200       1.623600    
 H    2.120700     -5.0500002E-02  -2.058900    
 H    1.825900      0.9024000     -0.5898000    
 H   -3.488600      -2.292200     -0.3742000    
 H   -3.271300      -1.013900      -1.588600    
 H   -2.204000       1.243500     -0.7189000    
 H   -1.706400       1.331100      0.9559000    
 H    6.910900       1.076900       1.609200    
 H    5.842300       2.481100       1.862300    
 H    7.380900       2.652400       1.018800    
 H    4.851600       3.644200     -0.5517000    
 H    6.569400       3.620900     -0.9455000    
 H    5.443400       2.848300      -2.032800    
 H   -7.465000     -0.3304000     -0.5988000    
 H   -6.953200      0.8273000      -1.851600    
 H   -8.204100       1.251000     -0.6826000    
 H   -5.743000       3.203700     -0.8300000    
 H   -7.221500       3.209700      0.1276000    
 H   -5.685300       3.272900      0.9520000    


%chk=000034447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034447

0 1
S -0.052299 -2.848582 1.067196
S -0.584805 -1.181809 2.923949
S 1.368006 -3.919125 -1.187220
S -1.573009 1.229384 4.117135
N 4.112508 0.527586 0.093228
N -4.105937 1.112105 -0.553651
N 2.514698 -1.900210 0.297995
N -1.990416 0.791048 1.427099
C 3.935594 -0.390290 -1.064039
C 2.908008 0.459864 0.962015
C -3.401577 -0.185658 -0.367785
C -4.141324 1.835809 0.746141
C 4.466377 1.928484 -0.323839
C -5.468444 0.956791 -1.172725
C 3.693835 -1.839781 -0.603569
C 2.656734 -0.978177 1.449611
C -1.969277 0.026262 0.158160
C -2.719603 2.078871 1.284906
C 5.773763 1.943593 -1.149572
C 4.632108 2.848672 0.907602
C -5.378102 0.222930 -2.530375
C -6.138737 2.334309 -1.383308
C 1.476337 -2.737437 0.068630
C -1.478554 0.384552 2.612333
H 4.850660 -0.389246 -1.678004
H 3.083851 -0.071852 -1.719029
H 1.990582 0.831213 0.434495
H 3.059301 1.087150 1.854640
H -3.317659 -0.704958 -1.335804
H -3.951296 -0.860225 0.336790
H -4.732906 1.279550 1.517109
H -4.611162 2.822797 0.606186
H 3.644751 2.348714 -0.963551
H -6.123392 0.350551 -0.492211
H 4.576134 -2.207617 -0.045532
H 3.514295 -2.500376 -1.467083
H 1.754288 -1.012434 2.077482
H 3.523546 -1.316960 2.049783
H -1.476546 -0.945840 0.309748
H -1.390444 0.609020 -0.584812
H -2.157721 2.711660 0.571274
H -2.754170 2.577001 2.267012
H 5.669879 1.457455 -2.135025
H 6.579963 1.435650 -0.589503
H 6.082632 2.987454 -1.335160
H 5.346247 2.401216 1.623080
H 5.030546 3.827579 0.587008
H 3.681811 3.042596 1.433899
H -5.095414 -0.839016 -2.430434
H -4.641568 0.724261 -3.184720
H -6.362220 0.250220 -3.030725
H -5.464614 3.000610 -1.952297
H -7.070849 2.206884 -1.961598
H -6.411011 2.833046 -0.437036


