%chk=000060343.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060343

0 1
 O    2.008200      -1.842200     -0.5947000    
 N    3.737900      0.2412000     -6.5300003E-02
 N   0.2045000     -0.3677000     -0.3036000    
 C    2.399400      0.5385000     -0.5742000    
 C    3.668400     -0.2046000       1.325700    
 C    4.601900       1.415300     -0.1833000    
 C    1.540600     -0.7121000     -0.4981000    
 C  -0.9029000      -1.240300     -0.1809000    
 C   -2.181900     -0.7409000      1.0900000E-02
 C    5.051200     -0.5182000       1.871400    
 C    4.734800       1.855900      -1.631200    
 C   -2.443700      0.6833000      9.3999997E-02
 C  -0.6692000      -2.605400     -0.2583000    
 C   -3.252800      -1.626700      0.1283000    
 C   -1.740200      -3.491300     -0.1410000    
 C   -3.032000      -3.002000      5.2200001E-02
 C   -2.405100       1.325000       1.329900    
 C   -2.732500       1.404300      -1.062400    
 C   -2.656700       2.694800       1.409800    
 C   -2.984000       2.774000     -0.9826000    
 C   -2.946100       3.419100      0.2535000    
 H    1.940400       1.366200     -1.9400001E-02
 H    2.409700      0.7998000      -1.637700    
 H    3.192100      0.5495000       1.966100    
 H    3.084100      -1.123600       1.431900    
 H    4.243200       2.252800      0.4281000    
 H    5.621900       1.184200      0.1395000    
 H  -9.7000003E-03  0.6244000     -0.2505000    
 H    5.626500      -1.149900       1.185800    
 H    5.628200      0.3832000       2.099900    
 H    4.954600      -1.068400       2.814500    
 H    4.969300       1.014300      -2.292000    
 H    3.835200       2.358100      -2.000200    
 H    5.553600       2.578800      -1.721100    
 H   0.2920000      -3.072500     -0.4059000    
 H   -4.267000      -1.264100      0.2793000    
 H   -1.570100      -4.562500     -0.2001000    
 H   -3.865800      -3.691800      0.1435000    
 H   -2.180100      0.7749000       2.240400    
 H   -2.765200      0.9165000      -2.033600    
 H   -2.626800       3.197400       2.372200    
 H   -3.209100       3.338300      -1.882900    
 H   -3.141700       4.485600      0.3156000    


%chk=000060343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060343

0 1
O 2.070487 -1.868234 -0.460896
N 3.735016 0.467997 0.107497
N 0.205780 -0.441714 -0.288681
C 2.413640 0.587121 -0.513610
C 3.666057 0.270500 1.578875
C 4.674745 1.537106 -0.313260
C 1.573070 -0.709055 -0.407627
C -0.892288 -1.347688 -0.279785
C -2.213116 -0.805977 -0.130470
C 4.939001 -0.370135 2.163182
C 5.107510 1.427311 -1.788477
C -2.462107 0.653756 0.093314
C -0.712553 -2.745746 -0.457940
C -3.317534 -1.690849 -0.207234
C -1.833753 -3.599138 -0.510339
C -3.142187 -3.078224 -0.395104
C -1.839987 1.359769 1.162930
C -3.373656 1.360967 -0.738250
C -2.113057 2.728323 1.384068
C -3.647545 2.728459 -0.516506
C -3.015262 3.419925 0.543113
H 1.814284 1.448346 -0.102659
H 2.546619 0.789558 -1.593275
H 3.441571 1.232085 2.111189
H 2.820864 -0.412733 1.779209
H 4.252090 2.558351 -0.118264
H 5.575960 1.447313 0.317897
H -0.049748 0.548732 -0.217885
H 5.150061 -1.316429 1.636933
H 5.824528 0.284400 2.071742
H 4.796756 -0.585264 3.238506
H 5.506192 0.418095 -1.989094
H 4.275056 1.613878 -2.491262
H 5.894759 2.171592 -2.009524
H 0.301781 -3.136028 -0.557827
H -4.325615 -1.278181 -0.086167
H -1.678996 -4.675297 -0.645920
H -4.012384 -3.741534 -0.437954
H -1.177404 0.821523 1.851354
H -3.853362 0.833680 -1.570716
H -1.632942 3.248795 2.220416
H -4.349819 3.254903 -1.172561
H -3.227412 4.480936 0.714564


