%chk=000003326.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003326

0 1
 O   -3.158100      0.5885000       1.697600    
 N    1.221800       1.953000      -1.758200    
 N   -1.245400      0.4617000      -1.189100    
 N   -2.116000     -0.1790000     -0.2957000    
 C  -0.9455000       1.712100     -0.6505000    
 C   2.7000001E-03   2.633000      -1.343100    
 C   -1.627400       1.955000      0.4806000    
 C    1.889800       1.340500     -0.6075000    
 C   -1.674600       3.122800       1.389700    
 C   -2.438000      0.7241000      0.7210000    
 C    3.090700      0.5083000      -1.092800    
 C    2.299500       2.452100      0.3587000    
 C    2.128900       2.883700      -2.433500    
 C   -3.086600       3.713900       1.448000    
 C   -1.195900       2.755400       2.798800    
 C   -1.475300      0.2989000      -2.621400    
 C   -2.328100      -1.580200     -0.2818000    
 C    3.527300     -0.5527000     -0.1113000    
 C   -3.397000      -2.123900      0.4374000    
 C   -1.470400      -2.429300     -0.9880000    
 C    4.479100     -0.2415000      0.8466000    
 C    2.968400      -1.818500     -0.1866000    
 C   -3.606200      -3.503100      0.4502000    
 C   -1.679600      -3.808300     -0.9754000    
 C    4.882700      -1.222000       1.753100    
 C    3.371800      -2.798900      0.7198000    
 C   -2.747500      -4.345100     -0.2562000    
 C    4.329000      -2.500600       1.689700    
 H   0.1883000       3.547600     -0.7722000    
 H  -0.5100000       2.985600      -2.249500    
 H    1.219400      0.6514000     -8.2099997E-02
 H   -1.010200       3.909600       1.016100    
 H    3.958200       1.142200      -1.319000    
 H    2.842300      1.1000000E-03  -2.036400    
 H    1.484200       3.089200      0.7063000    
 H    3.110800       3.084500     -1.5300000E-02
 H    2.691100       1.994500       1.275700    
 H    3.051700       2.414200      -2.785400    
 H    2.376400       3.779600      -1.855100    
 H    1.638900       3.243000      -3.347900    
 H   -3.807000       3.039500       1.921500    
 H   -3.454800       3.953500      0.4440000    
 H   -3.083400       4.643800       2.027900    
 H  -0.2025000       2.293800       2.768300    
 H   -1.875400       2.064900       3.308100    
 H   -1.122500       3.655500       3.419500    
 H  -0.5253000      0.3050000      -3.164700    
 H   -2.100200       1.113400      -3.006300    
 H   -1.988400     -0.6334000      -2.873000    
 H   -4.104100      -1.501200      0.9758000    
 H  -0.6086000      -2.054000      -1.532600    
 H    4.919500      0.7497000      0.9029000    
 H    2.219800      -2.059700     -0.9359000    
 H   -4.441200      -3.921100       1.004900    
 H   -1.006800      -4.465100      -1.519000    
 H    5.628500     -0.9899000       2.507800    
 H    2.939700      -3.794200      0.6712000    
 H   -2.910100      -5.418900     -0.2460000    
 H    4.643000      -3.264000       2.395600    


%chk=000003326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003326

0 1
O -3.375222 0.371221 1.636409
N 1.222630 2.080697 -1.732620
N -1.229862 0.448635 -1.206421
N -2.240131 -0.172575 -0.408304
C -0.997942 1.720626 -0.639136
C -0.070994 2.691794 -1.328924
C -1.747488 1.890286 0.515971
C 1.983001 1.457448 -0.600720
C -1.735660 3.035861 1.507859
C -2.571313 0.687685 0.705910
C 2.973707 0.388673 -1.150935
C 2.686371 2.466475 0.343596
C 2.001041 2.993832 -2.595002
C -3.147525 3.668843 1.646789
C -1.208676 2.560575 2.890528
C -1.326535 0.282094 -2.674984
C -2.427201 -1.586751 -0.454071
C 3.504978 -0.541672 -0.068396
C -3.661012 -2.131176 -0.012437
C -1.390349 -2.446703 -0.904752
C 4.866335 -0.512576 0.326920
C 2.635595 -1.460210 0.578940
C -3.847646 -3.529254 -0.031084
C -1.600317 -3.841467 -0.934680
C 5.349432 -1.373611 1.339732
C 3.111881 -2.321762 1.590946
C -2.828130 -4.391423 -0.499105
C 4.472973 -2.281553 1.976264
H 0.049914 3.578284 -0.661650
H -0.550482 3.072204 -2.255338
H 1.225566 0.909094 -0.009315
H -1.047199 3.818897 1.128890
H 3.822695 0.885028 -1.659940
H 2.421247 -0.188265 -1.917505
H 1.971846 3.201013 0.759523
H 3.490044 3.020817 -0.176110
H 3.145639 1.929599 1.192184
H 2.925604 2.497147 -2.933287
H 2.285162 3.954401 -2.101824
H 1.406476 3.243212 -3.493869
H -3.864813 2.915038 2.014844
H -3.513831 4.052202 0.676691
H -3.122693 4.509080 2.365281
H -0.181841 2.157717 2.811434
H -1.862769 1.767021 3.291807
H -1.197321 3.401365 3.608902
H -0.399520 0.698342 -3.100747
H -2.214781 0.800257 -3.088332
H -1.389352 -0.787244 -2.927745
H -4.440478 -1.462003 0.357623
H -0.424246 -2.024624 -1.201690
H 5.552853 0.188805 -0.164005
H 1.577903 -1.502383 0.287588
H -4.799144 -3.945258 0.318154
H -0.796210 -4.498577 -1.284609
H 6.405827 -1.336549 1.629772
H 2.424530 -3.023343 2.077144
H -2.985669 -5.475123 -0.517744
H 4.844501 -2.950167 2.760878


