%chk=000027781.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027781

0 1
 O    3.059000       1.383700      -1.958900    
 N   -4.102700     -0.6902000     -0.2900000    
 N   -1.252600     -0.7023000     -0.2866000    
 C   -3.348800      0.4385000     -0.8546000    
 C   -3.358100      -1.295600      0.8236000    
 C   -1.977300     -1.7400000E-02  -1.356300    
 C   -1.987000      -1.790000      0.3588000    
 C   -5.425900     -0.2537000      0.1534000    
 C   6.7599997E-02 -0.4662000     -3.5000000E-02
 C   -6.194500      -1.425400      0.7578000    
 C   -6.183300      0.3487000      -1.025700    
 C   0.4268000      0.9316000      0.3227000    
 C   0.9705000      -1.463500     -0.1086000    
 C    1.577400       1.583000     -0.1494000    
 C    2.425900      -1.404300      7.2499998E-02
 C    3.215000     -0.3366000     -0.3695000    
 C  -0.4519000       1.681700       1.130900    
 C    2.621700      0.8917000     -0.9267000    
 C    1.817600       2.936600      0.1355000    
 C    3.071900      -2.534800      0.5987000    
 C  -0.2070000       3.025400       1.428200    
 C    4.613200     -0.3924000     -0.2884000    
 C   0.9235000       3.655200      0.9225000    
 C    4.464400      -2.586700      0.6956000    
 C    5.234500      -1.517000      0.2493000    
 H   -3.231800       1.240300     -0.1145000    
 H   -3.847500      0.8655000      -1.729800    
 H   -3.864900      -2.179600       1.222200    
 H   -3.235100     -0.5793000       1.646700    
 H   -2.095200     -0.7061000      -2.202900    
 H   -1.424600      0.8510000      -1.734900    
 H   -1.443000      -2.174600       1.230700    
 H   -2.100200      -2.621800     -0.3480000    
 H   -5.341300      0.5215000      0.9278000    
 H   -7.250100      -1.161100      0.8927000    
 H   -6.164800      -2.310000      0.1113000    
 H   -5.827700      -1.700000       1.751900    
 H   -5.820800       1.345900      -1.294300    
 H   -7.242700      0.4774000     -0.7733000    
 H   -6.141200     -0.2953000      -1.911700    
 H   0.6113000      -2.462800     -0.3580000    
 H   -1.348400       1.228000       1.548600    
 H    2.710900       3.434800     -0.2336000    
 H    2.495800      -3.395100      0.9343000    
 H  -0.9043000       3.577500       2.051700    
 H    5.226500      0.4383000     -0.6284000    
 H    1.114200       4.699600       1.150000    
 H    4.946200      -3.467700       1.109600    
 H    6.317300      -1.559300      0.3191000    


%chk=000027781-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027781

0 1
O 3.754618 1.513540 -1.638347
N -4.177807 -0.729333 -0.193210
N -1.309544 -0.261810 0.153289
C -3.559846 0.586110 -0.509727
C -3.394983 -1.375249 0.892387
C -2.088945 0.419890 -0.916459
C -1.918119 -1.560787 0.497607
C -5.642380 -0.624440 0.126252
C 0.108791 -0.116861 0.142966
C -6.245051 -2.016277 0.428838
C -6.419236 0.021562 -1.044318
C 0.593969 1.283964 0.273426
C 0.917527 -1.243030 0.147041
C 1.860027 1.765214 -0.193268
C 2.366849 -1.379077 0.181099
C 3.318326 -0.402016 -0.269325
C -0.283333 2.220932 0.904212
C 2.979201 0.956744 -0.791052
C 2.161843 3.154658 -0.076163
C 2.874202 -2.660711 0.577433
C 0.047128 3.577670 1.046263
C 4.705490 -0.729395 -0.292230
C 1.277160 4.058091 0.533158
C 4.244355 -2.957143 0.574630
C 5.176736 -1.979585 0.137197
H -3.621853 1.287350 0.364018
H -4.094035 1.048605 -1.355631
H -3.811686 -2.374624 1.099659
H -3.441095 -0.777675 1.840231
H -2.041024 -0.182336 -1.851888
H -1.645901 1.406925 -1.123461
H -1.375199 -1.997216 1.355021
H -1.863107 -2.277342 -0.355669
H -5.782926 0.020880 1.035287
H -7.342766 -1.933819 0.519680
H -6.015142 -2.714892 -0.396518
H -5.874025 -2.452495 1.372284
H -6.172987 1.087502 -1.189527
H -7.504456 -0.036719 -0.847145
H -6.205949 -0.519306 -1.984544
H 0.398793 -2.208625 0.135319
H -1.228516 1.838802 1.301481
H 3.121204 3.493253 -0.478872
H 2.156823 -3.425036 0.899957
H -0.644280 4.257422 1.556518
H 5.394818 0.031282 -0.671866
H 1.543982 5.116548 0.622426
H 4.591833 -3.942771 0.903900
H 6.249012 -2.201273 0.124643


