%chk=000051596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051596

0 1
 O    1.060400       2.416500       1.504100    
 O    5.642400      -1.380400     -0.5558000    
 N   -3.870500      -2.103800      0.1527000    
 N  -0.2023000      0.9189000      0.2631000    
 C   -2.655600      0.5383000      0.5092000    
 C   -2.907000     -6.4400002E-02 -0.8872000    
 C   -1.485500       1.544600      0.4992000    
 C   -3.155200       1.046800      -1.917000    
 C   -2.497700     -0.5856000       1.541700    
 C   -4.090800      -1.046700     -0.8455000    
 C   -1.743000       2.640700     -0.5448000    
 C   -2.019700       2.067700      -1.935500    
 C   -3.694300      -1.539500       1.497700    
 C   -4.979200      -3.058100      0.1399000    
 C   0.9771000       1.417500      0.7945000    
 C    2.213800      0.6759000      0.4371000    
 C    3.415200       1.353200      0.4194000    
 C    2.121100     -0.6668000      0.1341000    
 C    4.576300      0.6569000      8.3600000E-02
 C    3.282100      -1.363300     -0.2018000    
 C    4.509800     -0.7015000     -0.2270000    
 C    5.502600      -2.767100     -0.8620000    
 H   -3.556000       1.105300      0.7923000    
 H   -2.019700     -0.6294000      -1.204700    
 H   -1.438700       2.025200       1.484900    
 H   -4.097100       1.562200      -1.689500    
 H   -3.266800      0.6115000      -2.917200    
 H   -2.410100     -0.1580000       2.547500    
 H   -1.577100      -1.152700       1.354100    
 H   -5.022800     -0.5045000     -0.6347000    
 H   -4.198900      -1.500600      -1.838800    
 H  -0.8903000       3.327900     -0.6005000    
 H   -2.608700       3.237800     -0.2304000    
 H   -1.111100       1.595800      -2.328800    
 H   -2.273200       2.883300      -2.622500    
 H   -3.511600      -2.346800       2.217500    
 H   -4.600300      -1.011600       1.823500    
 H  -0.1745000      0.1615000     -0.4100000    
 H   -4.792600      -3.874200      0.8468000    
 H   -5.079900      -3.518000     -0.8494000    
 H   -5.934000      -2.587200      0.4006000    
 H    3.483500       2.411400      0.6533000    
 H    1.191200      -1.224500      0.1764000    
 H    5.529500       1.178100      6.4000003E-02
 H    3.160300      -2.417900     -0.4246000    
 H    5.143000      -3.335600      2.3000001E-03
 H    6.501100      -3.147300      -1.101700    
 H    4.879900      -2.922500      -1.749500    


%chk=000051596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051596

0 1
O 0.987145 2.413657 1.475597
O 5.809655 -1.450282 -0.340366
N -3.879273 -2.062535 0.221482
N -0.252806 0.981320 0.128263
C -2.702044 0.618978 0.483013
C -3.017056 -0.004038 -0.906030
C -1.541504 1.651406 0.406046
C -3.321713 1.097386 -1.948568
C -2.472041 -0.484629 1.537569
C -4.179807 -1.011392 -0.777681
C -1.855787 2.743260 -0.653378
C -2.174945 2.133620 -2.038683
C -3.650350 -1.477956 1.565879
C -4.905311 -3.122944 0.239920
C 0.934959 1.393652 0.711738
C 2.161530 0.579325 0.396662
C 3.427827 1.167692 0.665463
C 2.126394 -0.741253 -0.116055
C 4.618208 0.472609 0.408728
C 3.314977 -1.457693 -0.377161
C 4.566935 -0.843908 -0.119672
C 5.817054 -2.813227 -0.879185
H -3.604214 1.198530 0.783684
H -2.133773 -0.589037 -1.247720
H -1.410537 2.140633 1.389248
H -4.259542 1.617879 -1.659819
H -3.503390 0.639029 -2.941224
H -2.342437 -0.030775 2.539618
H -1.542791 -1.038844 1.306633
H -5.115924 -0.447085 -0.509989
H -4.361411 -1.499331 -1.754914
H -1.000837 3.440954 -0.714426
H -2.729563 3.327717 -0.298968
H -1.265211 1.646334 -2.446184
H -2.443792 2.937345 -2.750419
H -3.437229 -2.302151 2.272350
H -4.571105 -0.950921 1.937559
H -0.238581 0.232512 -0.564358
H -4.607359 -3.917238 0.947797
H -4.992823 -3.574726 -0.764724
H -5.919331 -2.754404 0.541491
H 3.443117 2.177714 1.087236
H 1.171058 -1.253289 -0.285292
H 5.596929 0.918775 0.608604
H 3.253963 -2.480013 -0.761587
H 5.317258 -3.520784 -0.189501
H 6.880118 -3.077626 -0.975114
H 5.330458 -2.855246 -1.872964


