%chk=000044688.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044688

0 1
 O    2.731300      0.5025000       1.799200    
 N   -3.095500     -0.7419000      8.2000000E-03
 C  -0.7891000     -0.2649000      0.8449000    
 C   0.7167000      8.2999997E-02  0.4336000    
 C   -1.699800     -0.5897000     -0.3754000    
 C   -3.950000      -1.097900      -1.124000    
 C   -3.666200      0.4952000      0.5406000    
 C   -5.349400     -0.8232000     -0.5937000    
 C   -5.163400      0.2263000      0.4979000    
 C  -0.9101000      -1.417000       1.870100    
 C    1.355400      -1.223600     -0.1403000    
 C   0.8638000       1.279100     -0.5640000    
 C    1.506400      0.6182000       1.699800    
 C   0.7245000       1.403400       2.756600    
 C    1.356900      -1.377600      -1.492000    
 C    1.948800       1.278500      -1.383900    
 C    1.865600      -2.114700      0.7520000    
 C  -0.1040000       2.234300     -0.5411000    
 C    1.602400       1.846900       3.916100    
 C    1.926900      -2.543100      -2.004200    
 C    2.080000       2.344800      -2.273500    
 C    2.435700      -3.280300      0.2397000    
 C   2.7300000E-02   3.300400      -1.430900    
 C    2.466300      -3.494300      -1.138400    
 C    1.119200       3.355700      -2.297100    
 H   -1.206100      0.6119000       1.345400    
 H   -1.605300      0.1676000      -1.159700    
 H   -1.370200      -1.536700     -0.8194000    
 H   -3.829600      -2.144900      -1.419500    
 H   -3.754700     -0.4631000      -1.997900    
 H   -3.354200      0.7097000       1.566900    
 H   -3.428900       1.361000     -9.0599999E-02
 H   -6.017300     -0.4705000      -1.386100    
 H   -5.787900      -1.731400     -0.1636000    
 H   -5.516600     -0.1705000       1.457000    
 H   -5.728800       1.138800      0.2830000    
 H  -0.1875000      -1.337900       2.685500    
 H  -0.7931000      -2.398600       1.399400    
 H   -1.901300      -1.408600       2.337800    
 H  -7.2499998E-02  0.7905000       3.178100    
 H   0.2864000       2.289200       2.289600    
 H   0.8522000     -0.7306000      -2.200100    
 H    2.780800      0.5863000      -1.326300    
 H    1.856300      -1.976600       1.826100    
 H  -0.9531000       2.244300      0.1276000    
 H    2.058300      0.9858000       4.415900    
 H    1.009900       2.396700       4.653900    
 H    2.409100       2.502100       3.571000    
 H    1.927500      -2.722800      -3.075400    
 H    2.944000       2.402700      -2.929400    
 H    2.854400      -4.022000      0.9136000    
 H  -0.7170000       4.091400      -1.445000    
 H    2.904500      -4.404600      -1.536800    
 H    1.225300       4.189800      -2.984600    


%chk=000044688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044688

0 1
O 2.676493 0.053437 2.004378
N -3.130921 -0.720225 0.048989
C -0.813774 -0.297090 0.929090
C 0.687076 0.005591 0.519671
C -1.692146 -0.705489 -0.287820
C -3.981467 -1.440656 -0.934044
C -3.777433 0.607492 0.204467
C -5.426505 -1.095743 -0.492239
C -5.294033 0.279714 0.248415
C -0.940771 -1.386965 2.020175
C 1.293737 -1.244637 -0.161355
C 0.845132 1.272377 -0.379169
C 1.504292 0.457239 1.794998
C 0.861959 1.494560 2.726983
C 1.206417 -1.404627 -1.570103
C 2.128016 1.543613 -0.930160
C 1.852198 -2.311866 0.591138
C -0.185216 2.223196 -0.595643
C 1.881562 2.180397 3.654993
C 1.660092 -2.580446 -2.206621
C 2.366062 2.706027 -1.691745
C 2.309838 -3.488571 -0.041944
C 0.048936 3.387789 -1.362254
C 2.216897 -3.632002 -1.444506
C 1.323953 3.635472 -1.917268
H -1.229073 0.640022 1.349325
H -1.489975 -0.037635 -1.161934
H -1.405679 -1.727696 -0.596411
H -3.764342 -2.523321 -0.913383
H -3.801685 -1.074741 -1.978308
H -3.428958 1.120000 1.119114
H -3.551400 1.274044 -0.670150
H -6.111568 -1.044416 -1.356292
H -5.811664 -1.865273 0.198109
H -5.640305 0.188801 1.291981
H -5.887900 1.076036 -0.233290
H -0.402500 -1.129364 2.950646
H -0.548349 -2.353494 1.658630
H -2.009701 -1.524768 2.256649
H 0.087868 0.979102 3.331479
H 0.322405 2.242365 2.116815
H 0.787123 -0.597801 -2.181014
H 2.944552 0.835370 -0.750419
H 1.956878 -2.219374 1.674504
H -1.184073 2.068141 -0.176948
H 2.430753 1.436876 4.256396
H 1.370236 2.882851 4.337293
H 2.628919 2.743279 3.069082
H 1.579031 -2.671930 -3.295857
H 3.364881 2.888289 -2.103832
H 2.745920 -4.290968 0.563997
H -0.767591 4.101096 -1.523070
H 2.575784 -4.544061 -1.934803
H 1.504321 4.539080 -2.510133


