%chk=000121430.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121430

0 1
 O   0.9813000      0.9884000     -0.8988000    
 O    1.165600     -0.9747000      -2.086900    
 N   -2.313600      -2.116700      0.2524000    
 C   -1.039300       2.360900     -0.4798000    
 C   -1.215900       2.163600       1.059400    
 C   -2.034300      0.8572000      0.8382000    
 C   -1.054200     -2.2200000E-02  7.4999998E-03
 C  -0.4358000       1.005500     -0.9715000    
 C   -2.511400       2.358100     -0.9875000    
 C   -3.193800       1.333700     -6.5200001E-02
 C  -0.2664000       3.590300     -0.9204000    
 C   -1.974200       3.279800       1.805300    
 C   9.6100003E-02   1.962800       1.851100    
 C   -1.675800      -1.219900     -0.7007000    
 C    1.587500     -0.1758000      -1.265200    
 C   -1.338500      -2.619200       1.222900    
 C   -2.959500      -3.234000     -0.4406000    
 C    2.859900     -0.3655000     -0.5238000    
 C   -1.992800      -3.556800       2.223300    
 C   -4.024800      -2.740000      -1.404700    
 C    3.289500      -1.648500     -0.2532000    
 C    3.573200      0.7474000     -0.1283000    
 C    4.484600      -1.826500      0.4436000    
 C    4.768500      0.5695000      0.5685000    
 C    5.224100     -0.7175000      0.8544000    
 H   -2.376600      0.3772000       1.758700    
 H  -0.2528000     -0.3827000      0.6572000    
 H  -0.7231000      0.8240000      -2.015300    
 H   -2.984300       3.341600     -0.8901000    
 H   -2.591300       2.066800      -2.040500    
 H   -3.692400      0.5388000     -0.6227000    
 H   -3.974700       1.819800      0.5304000    
 H  -0.7605000       4.509800     -0.5900000    
 H  -0.1902000       3.629200      -2.012400    
 H   0.7500000       3.597000     -0.5142000    
 H   -1.356500       4.181700       1.885900    
 H   -2.907400       3.587500       1.328900    
 H   -2.227400       2.956400       2.821600    
 H   0.6683000       2.897100       1.888200    
 H  -0.1309000       1.675600       2.884800    
 H   0.7755000       1.203800       1.468900    
 H  -0.9108000      -1.768000      -1.259800    
 H   -2.373600     -0.8484000      -1.454600    
 H  -0.9332000      -1.807800       1.833600    
 H  -0.4957000      -3.126400      0.7365000    
 H   -3.492600      -3.876500      0.2670000    
 H   -2.234500      -3.860100     -0.9756000    
 H   -2.922300      -3.140100       2.626400    
 H   -2.195500      -4.546000       1.801300    
 H   -1.315900      -3.717000       3.070700    
 H   -3.600100      -2.317600      -2.320200    
 H   -4.682100      -1.997300     -0.9396000    
 H   -4.654700      -3.581200      -1.716100    
 H    2.719900      -2.519300     -0.5640000    
 H    3.246200       1.759100     -0.3489000    
 H    4.838900      -2.828500      0.6672000    
 H    5.345800       1.432800      0.8862000    
 H    6.154900     -0.8560000       1.396600    


%chk=000121430-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121430

0 1
O 1.132534 0.626998 -0.285483
O 1.581165 -0.837342 -2.054116
N -2.562116 -2.308769 0.363418
C -0.852668 2.173807 -0.469011
C -1.417051 2.112461 1.015005
C -2.283682 0.827848 0.723959
C -1.205740 -0.180378 0.206278
C -0.306357 0.726727 -0.697147
C -2.184365 2.188184 -1.302593
C -3.165298 1.284528 -0.474288
C 0.123557 3.296095 -0.827780
C -2.255445 3.350772 1.421909
C -0.338281 1.931868 2.114845
C -1.699732 -1.458874 -0.503099
C 1.971218 -0.184923 -1.051786
C -1.779995 -3.042607 1.397853
C -3.430561 -3.225513 -0.426367
C 3.372505 -0.182054 -0.532158
C -2.621369 -3.425090 2.630971
C -4.627838 -2.518915 -1.090097
C 4.336631 -0.970100 -1.213040
C 3.755264 0.574932 0.605912
C 5.671381 -1.001316 -0.760197
C 5.092228 0.541090 1.055410
C 6.051961 -0.245750 0.374819
H -2.856035 0.432228 1.578025
H -0.590661 -0.485323 1.072937
H -0.344418 0.438191 -1.763853
H -2.559770 3.222793 -1.398480
H -2.018409 1.811319 -2.329112
H -3.553240 0.429716 -1.051754
H -4.044113 1.853225 -0.124250
H -0.334630 4.286088 -0.646185
H 0.406827 3.251515 -1.896625
H 1.052993 3.228024 -0.236082
H -1.609439 4.245590 1.501856
H -3.070089 3.588925 0.719433
H -2.710913 3.185771 2.417024
H 0.212069 2.880268 2.264699
H -0.819772 1.674485 3.077857
H 0.406486 1.157095 1.880326
H -0.808902 -2.022415 -0.879415
H -2.283207 -1.182296 -1.399322
H -0.954458 -2.388560 1.731616
H -1.297679 -3.957152 0.966806
H -3.823122 -3.992090 0.266350
H -2.839045 -3.775741 -1.203040
H -3.065925 -2.519759 3.080141
H -3.445289 -4.115921 2.375723
H -1.990026 -3.925433 3.389188
H -4.308946 -1.772407 -1.840178
H -5.233588 -2.000066 -0.326737
H -5.266764 -3.256665 -1.610747
H 4.017611 -1.544715 -2.088958
H 3.004660 1.178947 1.123218
H 6.413361 -1.610603 -1.287441
H 5.387320 1.126206 1.933283
H 7.089565 -0.269719 0.726581


