%chk=000057364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057364

0 1
 O   -4.564600      -3.451600     -9.7400002E-02
 O   -6.742800      -3.649800      0.5215000    
 N    2.383700       1.056200      0.5145000    
 N   -5.658800       2.620000     -0.2459000    
 C   0.9961000       1.240900      0.9336000    
 C    3.302400       1.204500       1.647000    
 C   6.5600000E-02   1.192700     -0.2770000    
 C    2.562500     -0.2534000     -0.1315000    
 C    4.754900       1.171200       1.147900    
 C   -1.393600       1.393200      0.1386000    
 C    5.028600      2.3000000E-02  0.2031000    
 C   -2.326000       1.380800      -1.076600    
 C    4.000600     -0.6247000     -0.3769000    
 C   -3.758400       1.611400     -0.6965000    
 C   -4.694400      0.6117000     -0.3631000    
 C    6.438900     -0.3507000     -6.0100000E-02
 C   -5.891600       1.273100     -8.1100002E-02
 C   -4.359300       2.832100     -0.6211000    
 C   -4.657500     -0.7937000     -0.2685000    
 C    6.768200      -1.672600     -0.3687000    
 C    7.443900      0.6176000     -3.9999999E-04
 C   -7.058400      0.5968000      0.2921000    
 C   -5.817100      -1.483600      0.1037000    
 C   -6.998000     -0.7970000      0.3792000    
 C    8.095100      -2.024300     -0.6161000    
 C    8.770800      0.2658000     -0.2479000    
 C    9.096300      -1.055100     -0.5558000    
 C   -5.787200      -2.934600      0.2037000    
 H   0.6993000      0.4831000       1.670400    
 H   0.8864000       2.220800       1.415100    
 H    3.140000      0.4136000       2.391800    
 H    3.138500       2.164500       2.151900    
 H   0.1154000      0.2259000     -0.7884000    
 H   0.3531000       1.965300      -1.001200    
 H    2.100800      -1.058800      0.4541000    
 H    2.096000     -0.2414000      -1.122300    
 H    4.974700       2.117100      0.6358000    
 H    5.410700       1.107700       2.025100    
 H   -1.689200      0.6049000      0.8424000    
 H   -1.495100       2.346900      0.6720000    
 H   -2.013600       2.157300      -1.787000    
 H   -2.233500      0.4254000      -1.607600    
 H    4.156600      -1.449400      -1.066000    
 H   -3.993900       3.834300     -0.7964000    
 H   -6.348000       3.346400     -0.1092000    
 H   -3.723600      -1.302100     -0.4873000    
 H   -7.978100       1.130600      0.5068000    
 H    6.022100      -2.461900     -0.4022000    
 H    7.225800       1.657700      0.2256000    
 H   -7.899100      -1.333400      0.6685000    
 H    8.350000      -3.053700     -0.8505000    
 H    9.550600       1.020500     -0.2032000    
 H    10.12960      -1.329100     -0.7477000    
 H   -4.554900      -4.430100     -2.7700000E-02


%chk=000057364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057364

0 1
O -4.516840 -3.383313 0.199636
O -6.724694 -3.541956 0.895231
N 2.350697 0.764448 0.437786
N -5.875727 2.764196 -0.351696
C 0.919411 0.874396 0.804618
C 3.255828 0.914444 1.601566
C -0.011606 1.073391 -0.409364
C 2.650848 -0.465456 -0.328664
C 4.714139 1.071443 1.133541
C -1.473686 1.330904 0.016638
C 5.112524 -0.047677 0.175994
C -2.412632 1.570342 -1.198929
C 4.130447 -0.739042 -0.473357
C -3.856678 1.779601 -0.813709
C -4.791299 0.758242 -0.358872
C 6.562153 -0.333601 -0.024704
C -6.048402 1.409419 -0.077331
C -4.557262 2.983370 -0.797024
C -4.686734 -0.639244 -0.174602
C 7.024514 -1.601770 -0.482939
C 7.540054 0.664513 0.250218
C -7.183514 0.700449 0.382247
C -5.817831 -1.355261 0.283581
C -7.054226 -0.684801 0.560294
C 8.397599 -1.851964 -0.678857
C 8.916243 0.416195 0.054325
C 9.354562 -0.842836 -0.414198
C -5.775813 -2.819523 0.495763
H 0.573870 -0.021218 1.388697
H 0.814776 1.751766 1.472978
H 3.185977 0.040432 2.300870
H 2.944793 1.812756 2.166829
H 0.016985 0.183733 -1.070044
H 0.368970 1.927393 -1.004073
H 2.165660 -1.366944 0.142899
H 2.204689 -0.378113 -1.339182
H 4.826978 2.055064 0.635334
H 5.383190 1.074198 2.016353
H -1.849995 0.472173 0.607995
H -1.521907 2.214103 0.684887
H -2.043883 2.448008 -1.764808
H -2.331380 0.701763 -1.884383
H 4.388197 -1.536054 -1.182977
H -4.218750 3.981335 -1.070203
H -6.591185 3.481626 -0.257212
H -3.757362 -1.177352 -0.381507
H -8.131770 1.206586 0.592530
H 6.303768 -2.407710 -0.661143
H 7.222627 1.651048 0.604998
H -7.896892 -1.287382 0.913774
H 8.725114 -2.838880 -1.025715
H 9.645632 1.206316 0.266629
H 10.422256 -1.039152 -0.562273
H -4.571931 -4.362402 0.364652


