%chk=000177737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177737

0 1
 N   -2.765900     -0.5888000      0.4252000    
 N    2.779400     -0.5936000     -0.4250000    
 C   -5.105400     -0.1255000     -0.1180000    
 C    5.100600     -0.1249000      0.1294000    
 C   -3.740200     -0.5924000     -0.6456000    
 C    3.729300     -0.5880000      0.6445000    
 C   -5.132500       1.312000      0.4430000    
 C    5.133900       1.308000     -0.4433000    
 C   -3.835900      -2.004200      -1.218800    
 C    3.818600      -1.994900       1.230700    
 C   -4.256200       1.471400       1.686200    
 C   -4.676200       2.296000     -0.6382000    
 C    4.272600       1.456400      -1.698100    
 C    4.664400       2.300700      0.6241000    
 C   -1.398400     -0.5869000      0.2155000    
 C    1.385500     -0.5905000     -0.2114000    
 C  -0.4997000     -0.5816000       1.299700    
 C   0.8791000     -0.5833000       1.088300    
 C  -0.8658000     -0.5940000      -1.088300    
 C   0.5130000     -0.5958000      -1.299800    
 H   -5.453100     -0.8114000      0.6665000    
 H   -5.841500     -0.1942000     -0.9301000    
 H    5.458400     -0.8171000     -0.6451000    
 H    5.826900     -0.1865000      0.9507000    
 H   -3.448400      8.6499996E-02  -1.453300    
 H    3.436500      9.7999997E-02   1.445800    
 H   -6.169600       1.542200      0.7169000    
 H    6.174100       1.536300     -0.7066000    
 H   -3.080400     -0.8242000       1.360500    
 H    3.087000     -0.8466000      -1.358100    
 H   -4.149700      -2.719700     -0.4496000    
 H   -4.574500      -2.040100      -2.027100    
 H   -2.889100      -2.367800      -1.627000    
 H    4.145200      -2.716000      0.4719000    
 H    4.546900      -2.022700       2.048600    
 H    2.868400      -2.359800       1.629700    
 H   -4.404400      0.6501000       2.394300    
 H   -3.192900       1.581800       1.459300    
 H   -4.542400       2.392700       2.208500    
 H   -5.236100       2.148400      -1.567600    
 H   -4.855900       3.324800     -0.3063000    
 H   -3.607500       2.213600     -0.8593000    
 H    4.430200      0.6293000      -2.397400    
 H    3.206300       1.566100      -1.484900    
 H    4.563500       2.374000      -2.224400    
 H    5.212900       2.161000       1.561500    
 H    4.847900       3.326700      0.2858000    
 H    3.593000       2.220000      0.8329000    
 H  -0.8785000     -0.5731000       2.319600    
 H    1.504800     -0.5664000       1.973700    
 H   -1.492000     -0.5866000      -1.974800    
 H   0.8962000     -0.5980000      -2.317100    


%chk=000177737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177737

0 1
N -2.804488 -0.546872 0.534822
N 2.803178 -0.549501 -0.530037
C -5.225622 -0.201320 0.099878
C 5.224813 -0.204471 -0.096808
C -3.870840 -0.701088 -0.466247
C 3.869172 -0.698425 0.472316
C -5.416607 1.330072 0.315553
C 5.417656 1.325099 -0.323468
C -4.002405 -2.172312 -0.954875
C 3.998409 -2.166272 0.971614
C -4.601208 1.905307 1.500122
C -5.148727 2.141531 -0.975379
C 4.605212 1.892096 -1.514035
C 5.147847 2.146359 0.960839
C -1.426135 -0.590641 0.253491
C 1.424716 -0.592155 -0.248298
C -0.481033 -0.589212 1.318311
C 0.907428 -0.595497 1.080445
C -0.908856 -0.605735 -1.075186
C 0.479620 -0.600858 -1.313063
H -5.420435 -0.729238 1.059734
H -6.012380 -0.546622 -0.600978
H 5.419590 -0.739486 -1.052749
H 6.010767 -0.545587 0.607005
H -3.607996 -0.073837 -1.342042
H 3.606916 -0.064595 1.343479
H -6.492013 1.458591 0.567844
H 6.493701 1.450813 -0.574469
H -3.079844 -0.645366 1.512276
H 3.078337 -0.659624 -1.506370
H -4.397899 -2.814124 -0.145043
H -4.689041 -2.245041 -1.819580
H -3.019003 -2.573559 -1.257157
H 4.392914 -2.814691 0.166567
H 4.684896 -2.233769 1.836860
H 3.014341 -2.563661 1.276848
H -4.798898 1.343579 2.434047
H -3.517796 1.859053 1.293999
H -4.875223 2.962013 1.681311
H -5.706966 1.729331 -1.837590
H -5.457175 3.195437 -0.844262
H -4.072927 2.142716 -1.231217
H 4.804881 1.323502 -2.443366
H 3.521322 1.847511 -1.310104
H 4.880021 2.947374 -1.702203
H 5.704155 1.740165 1.827135
H 5.457301 3.199029 0.822409
H 4.071565 2.150181 1.214628
H -0.841933 -0.583138 2.355673
H 1.585464 -0.599678 1.939953
H -1.586901 -0.618102 -1.934595
H 0.840530 -0.603885 -2.350438


