%chk=000001224.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001224

0 1
 O   -4.059400     -0.6887000       1.141300    
 N  -0.7047000      0.4965000       1.214300    
 C   -3.399500      0.1349000      0.1745000    
 C   -1.089300     -0.8360000      0.7014000    
 C   -2.178800     -0.6238000     -0.3782000    
 C   -4.402000      0.4465000     -0.9368000    
 C   -2.954200       1.420500      0.8795000    
 C   -1.828100       1.159400       1.882800    
 C   0.4656000      0.4072000       2.089000    
 C    1.713200      3.2200001E-02   1.250700    
 C   0.1011000      -1.645300      0.1917000    
 C    1.426100      -1.249100      0.4776000    
 C   -3.753400       1.378500      -1.973600    
 C   -4.832400     -0.8582000      -1.627400    
 C   -5.639700       1.136100     -0.3400000    
 C    2.325500       1.124000      0.3611000    
 C    2.507400      -2.048000      5.2099999E-02
 C  -0.1082000      -2.863500     -0.4773000    
 C    3.919000      -1.603500      0.3219000    
 C    3.503900      0.9088000     -0.3992000    
 C    4.293100     -0.3845000     -0.5156000    
 C    2.267000      -3.240400     -0.6394000    
 C   0.9640000      -3.648200     -0.8974000    
 C    1.741800       2.410300      0.3068000    
 C    4.024800       1.970600      -1.177800    
 C    2.276500       3.441500     -0.4685000    
 C    3.420700       3.222200      -1.213600    
 H   -1.513000      -1.427000       1.527100    
 H   -1.709100     -0.1132000      -1.224200    
 H   -2.503200      -1.608200     -0.7277000    
 H   -3.772300       1.882100       1.443400    
 H   -2.574300       2.169700      0.1792000    
 H   -1.507900       2.128200       2.286100    
 H   -2.193600      0.5641000       2.729200    
 H   0.2951000     -0.3469000       2.871300    
 H   0.6487000       1.350300       2.618800    
 H    2.469600     -0.1811000       2.018100    
 H   -2.863700      0.9654000      -2.453100    
 H   -4.465200       1.555700      -2.791500    
 H   -3.517100       2.372200      -1.584800    
 H   -5.198200      -1.605100     -0.9149000    
 H   -4.027500      -1.307700      -2.217800    
 H   -5.651200     -0.6646000      -2.331600    
 H   -5.415400       2.112700      9.8800004E-02
 H   -6.380300       1.325000      -1.127800    
 H   -6.144500      0.5223000      0.4128000    
 H   -4.595400     -0.1290000       1.727000    
 H   -1.112300      -3.232500     -0.6664000    
 H    4.065700      -1.415200       1.391300    
 H    4.615400      -2.417100      8.0100000E-02
 H    4.263200     -0.6818000      -1.573800    
 H    5.341400     -0.1504000     -0.2841000    
 H    3.093200      -3.861000     -0.9763000    
 H   0.7804000      -4.582900      -1.419300    
 H   0.8479000       2.654100      0.8721000    
 H    4.923300       1.814800      -1.773000    
 H    1.794100       4.414500     -0.4831000    
 H    3.843300       4.017300      -1.819700    


%chk=000001224-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001224

0 1
O -3.984879 -0.740643 1.155224
N -0.658941 0.492534 1.295311
C -3.365999 0.191865 0.163903
C -1.079303 -0.828881 0.759711
C -2.139172 -0.599925 -0.348789
C -4.424852 0.502307 -0.981687
C -2.892399 1.470815 0.906338
C -1.798808 1.167550 1.949342
C 0.556208 0.413558 2.127731
C 1.776666 0.012303 1.274938
C 0.108934 -1.660867 0.268906
C 1.452294 -1.270730 0.508982
C -3.886832 1.558026 -1.987301
C -4.769808 -0.801196 -1.753769
C -5.745049 1.045708 -0.360591
C 2.341604 1.111555 0.344815
C 2.530721 -2.091933 0.070669
C -0.137834 -2.893468 -0.390696
C 3.956457 -1.635470 0.325141
C 3.537429 0.906525 -0.411589
C 4.358371 -0.391248 -0.508919
C 2.259801 -3.307151 -0.595729
C 0.924407 -3.710871 -0.823474
C 1.685969 2.368200 0.245431
C 4.035348 1.978775 -1.202258
C 2.193468 3.419364 -0.545104
C 3.388354 3.227099 -1.272982
H -1.585113 -1.415810 1.571112
H -1.655291 -0.062348 -1.183098
H -2.491368 -1.575808 -0.719797
H -3.749096 1.965487 1.406268
H -2.474104 2.182259 0.172770
H -1.441291 2.116572 2.392997
H -2.225761 0.546528 2.777543
H 0.446848 -0.336315 2.952564
H 0.720432 1.395936 2.607852
H 2.582215 -0.227190 2.000328
H -2.893301 1.283678 -2.385148
H -4.579104 1.635236 -2.846790
H -3.809620 2.563222 -1.534805
H -5.010273 -1.617119 -1.049001
H -3.936892 -1.129447 -2.400730
H -5.647909 -0.632685 -2.405046
H -5.584240 1.945527 0.262114
H -6.443587 1.331231 -1.168432
H -6.255571 0.276203 0.248952
H -4.681235 -0.245753 1.657443
H -1.169238 -3.224285 -0.556101
H 4.110462 -1.424731 1.402047
H 4.657438 -2.451832 0.068189
H 4.352964 -0.694599 -1.576222
H 5.414058 -0.146271 -0.271549
H 3.091555 -3.940685 -0.926976
H 0.714400 -4.660136 -1.328916
H 0.739584 2.510691 0.771673
H 4.956280 1.817644 -1.778474
H 1.658476 4.374598 -0.596769
H 3.803228 4.031102 -1.891448


