%chk=000095192.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095192

0 1
 S  -0.5359000      -1.142800     -9.9999997E-05
 N   -3.809200      -1.687700     -1.4700000E-02
 N   -1.677300       1.308900      8.0000004E-03
 N   -5.469600     -0.2005000     -1.3300000E-02
 N   -4.069600       1.786900      1.5000000E-03
 C    4.746500     -0.6017000      6.2500000E-02
 C    3.418300      0.1580000      3.2200001E-02
 C    5.935700      0.3602000      8.8999998E-03
 C    2.191400     -0.7606000      1.1700000E-02
 C    7.263200     -0.3975000      3.9999999E-04
 C   0.8714000      6.6999998E-03  1.0700000E-02
 C    8.446800      0.5530000     -8.5699998E-02
 C   -1.919000     -7.7000000E-03  5.0000002E-04
 C   -3.208300     -0.4612000     -6.3000000E-03
 C   -4.259800      0.4455000     -5.5999998E-03
 C   -5.163400      -1.480400     -1.8700000E-02
 C   -2.761200       2.121000      8.0000004E-03
 H    4.801300      -1.210600      0.9728000    
 H    4.792000      -1.289400     -0.7907000    
 H    3.360500      0.8166000      0.9078000    
 H    3.390200      0.8054000     -0.8532000    
 H    5.902000       1.036100      0.8719000    
 H    5.864200      0.9821000     -0.8919000    
 H    2.248700      -1.402500     -0.8769000    
 H    2.235000      -1.420400      0.8878000    
 H    7.294200      -1.085900     -0.8522000    
 H    7.351900      -1.002900      0.9098000    
 H   0.8131000      0.6399000      0.9025000    
 H   0.8204000      0.6495000     -0.8747000    
 H    8.463500       1.236800      0.7690000    
 H    8.405200       1.149500      -1.002600    
 H    9.385400     -9.8999999E-03 -8.8900000E-02
 H   -3.343100      -2.585300     -1.7500000E-02
 H   -5.866100      -2.301400     -2.5300000E-02
 H   -2.548000       3.184600      1.4000000E-02


%chk=000095192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095192

0 1
S -0.566035 -1.179283 0.010400
N -3.912293 -1.747377 0.025547
N -1.755556 1.321358 -0.011632
N -5.614536 -0.210823 0.015169
N -4.163831 1.811439 -0.009502
C 4.782915 -0.577335 -0.003566
C 3.439496 0.187485 -0.007139
C 6.013159 0.357727 -0.009497
C 2.213471 -0.758629 0.000855
C 7.358391 -0.404112 -0.005814
C 0.899393 0.036336 -0.003926
C 8.582285 0.537046 -0.011370
C -1.965384 -0.019718 0.002509
C -3.297317 -0.494622 0.011102
C -4.374237 0.458901 0.004744
C -5.293648 -1.514135 0.027468
C -2.851685 2.158718 -0.016969
H 4.827739 -1.236368 0.888537
H 4.826756 -1.246463 -0.888162
H 3.396174 0.856417 0.876960
H 3.394051 0.844440 -0.900084
H 5.971027 1.027702 0.874715
H 5.970177 1.017682 -0.901186
H 2.257598 -1.423470 -0.884481
H 2.259208 -1.410127 0.896003
H 7.400180 -1.073259 -0.889540
H 7.400791 -1.063519 0.885174
H 0.787977 0.677756 0.884472
H 0.784283 0.661300 -0.903490
H 8.579556 1.195751 0.877631
H 8.579355 1.185523 -0.907863
H 9.530869 -0.030652 -0.008228
H -3.447323 -2.654744 0.033293
H -6.016631 -2.327369 0.037870
H -2.625973 3.228723 -0.028300


