%chk=000043622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043622

0 1
 O    6.578900      -2.525600     -0.2711000    
 O    2.217700       2.153500     -0.5754000    
 O   -4.313400       1.695800     -0.4816000    
 O  -0.9785000      -1.346300      0.6003000    
 N   -2.303800      0.5526000      6.7500003E-02
 N    4.774300     -0.3821000      0.2298000    
 C   -4.251400     -0.6282000     -0.1047000    
 C   -3.288400      -1.505900      0.1690000    
 C   -5.679000     -0.9763000     -0.3196000    
 C   -3.497300      -2.965600      0.3449000    
 C   -5.858500      -2.493200     -0.4970000    
 C   -4.992400      -3.298500      0.4821000    
 C   -3.654900      0.7107000     -0.1912000    
 C   -2.017600     -0.7820000      0.3005000    
 C    4.593700      -1.287900     -0.9132000    
 C    6.199800     -0.2826000      0.5729000    
 C    4.217100      0.9373000     -6.0600001E-02
 C   -1.342700       1.614500      9.0999998E-02
 C    5.193100      -2.653700     -0.5910000    
 C    6.762100      -1.672100      0.8592000    
 C    2.720900      0.8442000     -0.3141000    
 C  -1.3000000E-02   1.365700     -0.2589000    
 C   0.9234000       2.399300     -0.2344000    
 C   -1.729700       2.903800      0.4655000    
 C   0.5331000       3.685200      0.1400000    
 C  -0.7934000       3.937300      0.4900000    
 H   -6.261000     -0.6380000      0.5458000    
 H   -6.074300     -0.4613000      -1.202100    
 H   -3.084100      -3.490700     -0.5244000    
 H   -2.964700      -3.328900       1.230800    
 H   -6.914400      -2.754800     -0.3644000    
 H   -5.589100      -2.773000      -1.523800    
 H   -5.144800      -4.371700      0.3204000    
 H   -5.319600      -3.082700       1.507500    
 H    5.075900     -0.8769000      -1.809600    
 H    3.539400      -1.468000      -1.138200    
 H    6.334800      0.3450000       1.461200    
 H    6.759000      0.1735000     -0.2545000    
 H    4.712000       1.410300     -0.9195000    
 H    4.380000       1.611300      0.7905000    
 H    4.669000      -3.140600      0.2407000    
 H    5.113300      -3.311400      -1.462600    
 H    7.837000      -1.606000       1.055300    
 H    6.291500      -2.125400       1.740200    
 H    2.247400      0.3984000      0.5710000    
 H    2.489600      0.2461000      -1.199500    
 H   0.2695000      0.3779000     -0.6079000    
 H   -2.746400       3.130700      0.7714000    
 H    1.258400       4.493900      0.1626000    
 H   -1.095300       4.937200      0.7879000    


%chk=000043622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043622

0 1
O 6.793589 -2.497497 -0.782503
O 2.288664 2.193068 0.211686
O -4.111125 1.536981 -1.241564
O -1.252863 -1.054343 1.488902
N -2.386617 0.576597 0.133208
N 4.921336 -0.445136 0.068198
C -4.313195 -0.725048 -0.268002
C -3.486909 -1.474192 0.518543
C -5.650259 -1.172328 -0.782688
C -3.797852 -2.854518 1.021450
C -5.800478 -2.705870 -0.587900
C -5.305269 -3.163656 0.809861
C -3.657496 0.596723 -0.545734
C -2.238471 -0.689362 0.801180
C 4.953301 -0.928383 -1.337760
C 6.273185 -0.553333 0.675409
C 4.320054 0.901907 0.206126
C -1.426144 1.648525 0.138574
C 5.453426 -2.381024 -1.380177
C 6.758025 -2.011148 0.607755
C 2.788044 0.806780 0.213376
C -0.042946 1.336672 0.167236
C 0.899907 2.390096 0.177998
C -1.865108 2.993154 0.111363
C 0.476181 3.741449 0.145864
C -0.901146 4.026874 0.108572
H -6.453463 -0.631177 -0.241443
H -5.765722 -0.887748 -1.845674
H -3.170000 -3.593488 0.482234
H -3.514112 -2.946587 2.087014
H -6.857581 -2.997010 -0.727880
H -5.214297 -3.230249 -1.368476
H -5.483708 -4.246996 0.937737
H -5.895699 -2.644198 1.590458
H 5.623944 -0.291018 -1.967989
H 3.937320 -0.882254 -1.771685
H 6.218615 -0.234049 1.733235
H 7.015135 0.101477 0.152756
H 4.637667 1.600643 -0.604519
H 4.649939 1.344224 1.163360
H 4.740216 -3.034731 -0.833209
H 5.562330 -2.735188 -2.418627
H 7.791638 -2.105469 0.979695
H 6.081259 -2.653646 1.211414
H 2.436826 0.268849 1.114756
H 2.415084 0.276368 -0.686169
H 0.272658 0.293668 0.206435
H -2.930292 3.226921 0.074798
H 1.230238 4.533790 0.149867
H -1.234626 5.069683 0.081639


