%chk=000003107.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003107

0 1
 O   -1.312900       1.044300       1.373500    
 O   0.3970000     -0.6241000      -1.300700    
 O    4.280000      -1.864600     -0.1243000    
 O    5.196600     -0.4353000      -1.617900    
 N   -1.358300      -1.152100      0.6454000    
 N    2.116500     -0.4315000      0.2574000    
 N   -3.926200       1.025500       1.834400    
 C   4.3800000E-02  -1.445100      0.9127000    
 C   0.1411000      -2.965000      0.8472000    
 C  -0.9651000      -3.349400     -0.1322000    
 C   -2.062100      -2.338300      0.1649000    
 C   -1.940100      6.3400000E-02  0.9704000    
 C   -3.435200      0.1370000      0.7894000    
 C   0.8466000     -0.7887000     -0.1697000    
 C   -3.826800      0.6142000     -0.6257000    
 C    3.092100      0.1948000     -0.5984000    
 C    3.528600       1.590900     -9.0499997E-02
 C   -5.362000      0.5895000     -0.7985000    
 C   -3.240200       1.986600     -0.9872000    
 C    2.301400       2.513800      7.2300002E-02
 C    4.353800       1.511700       1.201200    
 C    4.292300     -0.7127000     -0.8373000    
 C   -5.821900      0.8862000      -2.219700    
 C    2.661100       3.948700      0.4333000    
 H   0.3244000      -1.049800       1.895200    
 H    1.121500      -3.331300      0.5282000    
 H  -8.2900003E-02  -3.393800       1.831600    
 H   -1.301700      -4.382700     -9.1000004E-03
 H  -0.6104000      -3.229900      -1.162700    
 H   -2.707800      -2.701300      0.9719000    
 H   -2.671400      -2.116000     -0.7135000    
 H   -3.890800     -0.8389000      0.9793000    
 H   -3.404700     -9.5399998E-02  -1.348700    
 H    2.631900      0.3195000      -1.587300    
 H    4.182800       2.030600     -0.8563000    
 H    2.402400     -0.6666000       1.203500    
 H   -5.738100     -0.4019000     -0.5173000    
 H   -5.840500       1.314900     -0.1308000    
 H   -3.453900       2.247200      -2.028400    
 H   -2.150600       1.997800     -0.8894000    
 H   -3.650200       2.779000     -0.3527000    
 H    1.625900       2.124500      0.8433000    
 H    1.736900       2.526800     -0.8683000    
 H   -3.683600      0.6480000       2.750200    
 H   -4.943700       1.065100       1.814500    
 H    3.745200       1.163100       2.042000    
 H    5.205600      0.8327000       1.095500    
 H    4.766800       2.489600       1.467200    
 H   -5.321400      0.2326000      -2.940900    
 H   -6.900800      0.7192000      -2.305000    
 H   -5.630800       1.926500      -2.498000    
 H    3.080300       4.018600       1.441100    
 H    3.383700       4.364300     -0.2760000    
 H    1.764000       4.575900      0.4083000    
 H    5.066900      -2.419800     -0.3110000    


%chk=000003107-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003107

0 1
O -0.474316 -0.176121 2.067130
O 1.860814 -2.267337 -1.240557
O 3.996451 -0.803757 1.921958
O 5.240476 0.624812 0.587042
N -1.107121 -1.734673 0.470831
N 1.782216 -0.637034 0.431750
N -3.156308 0.591322 2.516448
C 0.182765 -2.496670 0.575839
C -0.159837 -3.863261 -0.050395
C -1.223908 -3.512273 -1.120248
C -2.075024 -2.414164 -0.442393
C -1.374115 -0.658337 1.281654
C -2.789972 -0.025899 1.229183
C 1.350347 -1.791146 -0.177145
C -2.881988 1.016623 0.053960
C 2.919143 0.123323 -0.081124
C 2.586685 1.628006 -0.367263
C -4.375138 1.279156 -0.276850
C -2.118381 2.316874 0.394928
C 1.517960 1.720935 -1.488133
C 2.178296 2.377371 0.923214
C 4.163893 0.027578 0.810034
C -4.607653 2.259018 -1.446789
C 1.253565 3.159774 -1.981282
H 0.456396 -2.557218 1.645800
H 0.733360 -4.326813 -0.495682
H -0.580481 -4.536292 0.718854
H -1.837276 -4.377720 -1.420923
H -0.718031 -3.110804 -2.014866
H -2.904193 -2.859019 0.144007
H -2.506264 -1.701189 -1.166351
H -3.528673 -0.822895 1.015689
H -2.404274 0.557040 -0.839859
H 3.200727 -0.355891 -1.041559
H 3.530133 2.072108 -0.743812
H 1.263152 -0.328543 1.272769
H -4.859253 0.309526 -0.521080
H -4.864649 1.653426 0.642941
H -2.033928 2.968528 -0.492281
H -1.096028 2.103885 0.754884
H -2.652671 2.877393 1.183052
H 0.571646 1.271332 -1.126310
H 1.849321 1.099589 -2.344795
H -2.362555 1.116204 2.907858
H -3.499887 -0.091279 3.201993
H 1.241252 1.975080 1.352376
H 2.967411 2.309884 1.694847
H 2.018491 3.449772 0.717063
H -4.086802 1.922800 -2.364145
H -5.685077 2.337852 -1.682243
H -4.247064 3.275096 -1.207174
H 0.810749 3.791367 -1.189866
H 2.189698 3.644732 -2.317523
H 0.551117 3.157751 -2.835027
H 4.849900 -0.821524 2.435966


