%chk=000052362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052362

0 1
 S   -1.945200      -2.231000       1.013200    
 S    3.561800      -2.269000       1.480100    
 S   -4.553100      -3.388200      0.1280000    
 S    1.977900      2.7899999E-02   2.543000    
 N   -4.021900     -0.6455000      0.2656000    
 N    3.635400      0.1945000      0.3422000    
 C   -3.478300      0.3549000       1.189300    
 C   -4.944900     -0.2373000     -0.6978000    
 C    4.972200     -7.0400000E-02 -0.1337000    
 C    2.932200       1.302500     -0.2584000    
 C   -2.770600       1.449900      0.6935000    
 C   -5.794700      0.8379000     -0.4379000    
 C    5.186200     -0.3757000      -1.477900    
 C    3.643600       2.403000     -0.7367000    
 C   -3.669300      0.2121000       2.563700    
 C   -5.017600     -0.9037000      -1.921100    
 C    6.050300     -2.0400001E-02  0.7502000    
 C    1.541300       1.272900     -0.3613000    
 C   -3.617300      -2.015500      0.4397000    
 C    3.067400     -0.5613000       1.392800    
 C   -2.253600       2.402000       1.572100    
 C   -6.717300       1.246600      -1.401000    
 C    6.477900     -0.6314000      -1.938100    
 C    2.964200       3.473800      -1.317600    
 C   -3.152400       1.164300       3.442100    
 C   -5.940000     -0.4950000      -2.884300    
 C    7.341900     -0.2761000      0.2898000    
 C   0.8621000       2.343800     -0.9422000    
 C   -2.444500       2.259300       2.946300    
 C   -6.789900      0.5802000      -2.624200    
 C    7.555700     -0.5814000      -1.054300    
 C    1.573700       3.444300      -1.420400    
 C   -1.095600      -2.311700     -0.5807000    
 C    2.979000      -2.823100     -0.1449000    
 C   0.3490000      -2.492700     -0.4230000    
 C    1.534400      -2.640500     -0.2961000    
 H   -2.607700       1.570900     -0.3741000    
 H   -5.787600       1.368800      0.5100000    
 H    4.359100     -0.4193000      -2.182100    
 H    4.724200       2.476800     -0.6535000    
 H   -4.227500     -0.6298000       2.965100    
 H   -4.329100      -1.698300      -2.192700    
 H    5.901300      0.2250000       1.798600    
 H   0.9500000      0.4122000     -6.9899999E-02
 H   -1.701300       3.253900       1.186600    
 H   -7.382300       2.080800      -1.197200    
 H    6.644300     -0.8691000      -2.984600    
 H    3.517400       4.332900      -1.685900    
 H   -3.302600       1.054400       4.512100    
 H   -5.986100      -1.003300      -3.843000    
 H    8.181600     -0.2352000      0.9775000    
 H  -0.2180000       2.313600      -1.043700    
 H   -2.041700       3.000400       3.630300    
 H   -7.506300      0.9000000      -3.375100    
 H    8.561500     -0.7799000      -1.412800    
 H    1.044900       4.276300      -1.876100    
 H   -1.293200      -1.386800      -1.132800    
 H   -1.505800      -3.140100      -1.167200    
 H    3.514000      -2.335600     -0.9577000    
 H    3.216200      -3.889600     -0.2215000    


%chk=000052362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052362

0 1
S -1.225217 -1.327038 0.639060
S 3.952374 -1.094974 2.691815
S -2.723926 -2.170775 -1.977143
S 3.113091 1.779082 2.769355
N -3.557947 -0.243529 -0.197679
N 3.703280 0.504855 0.402723
C -3.504835 0.396991 1.114599
C -4.647751 0.179654 -1.067511
C 4.727656 -0.222084 -0.316924
C 2.898848 1.451668 -0.360765
C -3.208441 1.777240 1.202312
C -5.967914 0.186844 -0.559743
C 4.418108 -0.833272 -1.558200
C 3.528271 2.397134 -1.202892
C -3.783192 -0.355761 2.280384
C -4.385699 0.631922 -2.382644
C 6.047862 -0.284076 0.197181
C 1.488410 1.390319 -0.275122
C -2.630378 -1.204968 -0.579325
C 3.582166 0.470860 1.793039
C -3.177115 2.403482 2.466902
C -7.029132 0.640860 -1.373651
C 5.425311 -1.515188 -2.273228
C 2.738153 3.288544 -1.961605
C -3.745325 0.277060 3.541912
C -5.451997 1.081604 -3.189561
C 7.044668 -0.980881 -0.519724
C 0.707858 2.288995 -1.031649
C -3.441764 1.655082 3.638016
C -6.776324 1.087130 -2.690626
C 6.740155 -1.598989 -1.755832
C 1.327160 3.240133 -1.877065
C -0.109395 -2.594821 -0.270294
C 3.658441 -2.572721 1.469316
C 1.213166 -2.581416 0.344069
C 2.333686 -2.571128 0.864861
H -3.008191 2.347462 0.288881
H -6.160647 -0.158385 0.461007
H 3.397058 -0.776125 -1.947554
H 4.621064 2.436324 -1.256126
H -4.014105 -1.422322 2.193522
H -3.362812 0.619028 -2.768912
H 6.285560 0.213515 1.142244
H 1.010117 0.649918 0.373752
H -2.937839 3.469694 2.538644
H -8.050792 0.641210 -0.978622
H 5.179935 -1.988946 -3.229892
H 3.225346 4.024552 -2.610487
H -3.952875 -0.304338 4.446483
H -5.247870 1.429036 -4.208159
H 8.063071 -1.027254 -0.118684
H -0.384716 2.235578 -0.965215
H -3.409189 2.142261 4.618365
H -7.600670 1.436070 -3.321913
H 7.518442 -2.132791 -2.311567
H 0.717413 3.935125 -2.464864
H -0.104175 -2.294640 -1.332270
H -0.606607 -3.575319 -0.192667
H 4.462682 -2.561754 0.717388
H 3.802790 -3.436736 2.142585


