%chk=000003114.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003114

0 1
 O   1.9400001E-02  0.9165000       2.622100    
 N   -2.217700      0.5965000     -0.3915000    
 N    2.615600      0.8873000      -1.223900    
 N    1.176000       2.607300       1.619800    
 C   0.7627000      0.5447000      0.2973000    
 C   4.7400001E-02   1.475300     -0.7636000    
 C   -1.421100       1.819500     -0.4537000    
 C   -3.603700      0.9050000     -3.9200000E-02
 C   -2.162500     -0.1168000      -1.667500    
 C   0.1203000     -0.8673000      0.4069000    
 C    2.259800      0.3295000     -7.7299997E-02
 C   0.6273000       1.339200       1.638300    
 C   -4.426100     -0.3798000     -4.0700000E-02
 C   -3.663300       1.592400       1.322000    
 C   -2.769400      0.7543000      -2.763000    
 C  -0.7218000     -0.4931000      -2.001500    
 C   0.6342000      -1.859700     -0.3754000    
 C  -0.9174000      -1.025900       1.278000    
 C    3.012100     -0.3878000      0.7914000    
 C   5.8100000E-02  -3.126200     -0.2774000    
 C   -1.493600      -2.292400       1.376100    
 C    4.343000     -0.5616000      0.4282000    
 C   -1.005800      -3.342600      0.5984000    
 C    3.915300      0.6973000      -1.543800    
 C    4.811100     -1.1900000E-02 -0.7601000    
 H   0.2755000       1.454700      -1.836400    
 H   0.5223000       2.463400     -0.6398000    
 H   -1.795900       2.562700      -1.166300    
 H   -1.424100       2.338000      0.5087000    
 H   -4.072000       1.615000     -0.7303000    
 H   -2.705900      -1.066000      -1.618500    
 H   -4.657700     -0.7432000      -1.046600    
 H   -5.400500     -0.1996000      0.4302000    
 H   -3.953300      -1.183600      0.5296000    
 H   -4.705100       1.668600       1.657200    
 H   -3.127300       1.041100       2.099100    
 H   -3.290300       2.620800       1.297000    
 H   -3.823900       1.000500      -2.618600    
 H   -2.756000      0.1907000      -3.706400    
 H   -2.215200       1.674100      -2.970700    
 H   0.3055000     -0.2511000      -1.838900    
 H  -0.6587000     -0.1919000      -3.068900    
 H  -0.7633000      -1.577300      -2.194900    
 H    1.472600      -1.772600      -1.059100    
 H   -1.419900     -0.2742000       1.859600    
 H    2.642600     -0.8010000       1.721700    
 H    1.102300       3.209900       2.432900    
 H    1.750100       2.955200      0.8594000    
 H   0.4399000      -3.945700     -0.8795000    
 H   -2.331800      -2.459700       2.046500    
 H    5.014900      -1.121900       1.071500    
 H   -1.456300      -4.327900      0.6726000    
 H    4.230400       1.145900      -2.480100    
 H    5.844700     -0.1342000      -1.062900    


%chk=000003114-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003114

0 1
O -0.539986 1.817234 2.295132
N -2.383243 0.333794 -1.265273
N 3.047081 1.538035 -0.018070
N 1.234823 2.949586 1.316243
C 0.807431 0.581865 0.621212
C 0.109593 0.844643 -0.781601
C -1.374709 1.333628 -0.788714
C -3.666354 0.405780 -0.460180
C -2.611924 0.388243 -2.754169
C 0.323122 -0.689318 1.348322
C 2.313616 0.411294 0.268440
C 0.465504 1.833091 1.516836
C -4.780703 -0.491299 -1.049842
C -3.443506 -0.015510 1.012143
C -3.274829 1.702745 -3.269780
C -1.323386 0.101562 -3.555220
C -0.488348 -1.667577 0.728855
C 0.790952 -0.935504 2.666802
C 2.899870 -0.875068 0.126940
C -0.806242 -2.872125 1.402313
C 0.472701 -2.130441 3.342240
C 4.238551 -0.991952 -0.302639
C -0.322740 -3.114292 2.706085
C 4.341532 1.420084 -0.422861
C 4.983923 0.175128 -0.583746
H 0.196943 -0.079961 -1.376192
H 0.733178 1.607768 -1.284152
H -1.418365 2.254681 -1.411114
H -1.653200 1.651656 0.227530
H -4.046143 1.459858 -0.457135
H -3.304470 -0.442599 -2.978032
H -5.173885 -0.132118 -2.016912
H -5.627176 -0.520388 -0.340139
H -4.412477 -1.526628 -1.179244
H -4.358841 0.205149 1.593340
H -3.246622 -1.100128 1.074452
H -2.604479 0.503316 1.504310
H -4.204772 1.935864 -2.720728
H -3.530636 1.600398 -4.340940
H -2.596427 2.570715 -3.173957
H -0.872075 -0.857949 -3.245220
H -0.569986 0.900616 -3.433046
H -1.565812 0.037402 -4.632317
H -0.926972 -1.471073 -0.255767
H 1.403635 -0.178872 3.171311
H 2.310604 -1.766608 0.350968
H 1.001733 3.794756 1.837748
H 2.080980 2.844558 0.714959
H -1.441831 -3.614819 0.905882
H 0.840201 -2.295140 4.361562
H 4.692610 -1.982364 -0.414817
H -0.570187 -4.046972 3.225989
H 4.870186 2.358696 -0.623576
H 6.025060 0.126957 -0.916232


