%chk=000041546.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041546

0 1
 O   -6.150400       1.308000      0.1917000    
 O   -1.205600       1.889500      -1.084600    
 O    1.213000     -0.1244000       1.812300    
 N   -3.322300       1.071800      0.4092000    
 N  -0.3304000     -0.2846000      -1.199900    
 N    2.860900     -0.7008000      0.2213000    
 C   -4.211100      0.7153000       1.523800    
 C   -4.014400      0.8691000     -0.8712000    
 C   -2.087300      0.2922000      0.4605000    
 C   -5.497900       1.531800       1.442100    
 C   -5.305000       1.683000     -0.8963000    
 C   -1.164700      0.7277000     -0.6708000    
 C  -0.2633000      -1.597200     -0.5897000    
 C   0.6638000      -1.830600      0.3907000    
 C   0.5881000     -3.5000000E-02  -2.321900    
 C   -1.147500      -2.542400      -1.041000    
 C    1.600000     -0.8179000      0.8627000    
 C   0.7110000      -3.101900      0.9627000    
 C   -1.100300      -3.813600     -0.4689000    
 C  -0.1711000      -4.093400      0.5329000    
 C    3.523300      0.5892000      0.1690000    
 C    3.502700      -1.874900     -0.3912000    
 C    2.741500       1.711300      0.1458000    
 C    4.890900      0.6081000      0.1466000    
 C    3.378000       2.951500      9.5899999E-02
 C    5.527400       1.848300      9.6900001E-02
 C    4.770800       3.020000      7.1500003E-02
 H   -3.719900      0.9199000       2.481900    
 H   -4.456900     -0.3542000       1.489200    
 H   -4.257400     -0.1940000      -1.002600    
 H   -3.419600       1.180500      -1.734500    
 H   -2.338000     -0.7684000      0.4315000    
 H   -1.554400      0.4929000       1.397400    
 H   -6.185600       1.223800       2.236100    
 H   -5.305200       2.604200       1.567700    
 H   -5.105500       2.760600     -0.8516000    
 H   -5.852200       1.485700      -1.823800    
 H   0.8471000       1.026200      -2.362500    
 H    1.495900     -0.6354000      -2.234600    
 H   6.5300003E-02 -0.3017000      -3.245400    
 H   -1.871300      -2.327800      -1.821000    
 H    1.429400      -3.332800       1.745400    
 H   -1.787200      -4.585500     -0.8035000    
 H  -0.1346000      -5.083100      0.9785000    
 H    4.049400      -1.575300      -1.290900    
 H    2.782900      -2.638000     -0.6883000    
 H    4.188400      -2.313500      0.3400000    
 H    1.658100       1.693100      0.1368000    
 H    5.502100     -0.2870000      0.1827000    
 H    2.789100       3.863800      6.9899999E-02
 H    6.612100       1.902300      8.1600003E-02
 H    5.266400       3.985600      3.2200001E-02


%chk=000041546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041546

0 1
O -5.909062 2.085163 0.853530
O -1.845390 1.025633 -2.338874
O 0.644654 0.272121 1.099961
N -3.360757 0.940157 0.069814
N -0.588679 -0.847179 -1.769385
N 2.666731 -0.380578 0.084850
C -3.780001 0.975924 1.492569
C -4.539280 0.865228 -0.829350
C -2.352343 -0.093629 -0.183051
C -4.724196 2.166994 1.724222
C -5.477057 2.050494 -0.556832
C -1.603311 0.097734 -1.513998
C -0.307403 -1.980384 -0.915174
C 0.692037 -1.909286 0.095396
C 0.206226 -0.728355 -3.009673
C -0.993839 -3.199292 -1.137221
C 1.330944 -0.580601 0.454260
C 0.965210 -3.057038 0.881391
C -0.714056 -4.337975 -0.351607
C 0.268350 -4.264750 0.663723
C 3.395405 0.818085 0.445319
C 3.419354 -1.431662 -0.642848
C 2.755923 2.084597 0.518446
C 4.791777 0.730033 0.689303
C 3.510708 3.233127 0.836225
C 5.535746 1.887283 1.004721
C 4.900341 3.146287 1.082025
H -2.882555 1.088052 2.130160
H -4.306043 0.033795 1.796325
H -5.102341 -0.092672 -0.677120
H -4.186452 0.912350 -1.873558
H -2.784095 -1.129888 -0.167084
H -1.592855 -0.053724 0.621691
H -5.114274 2.171518 2.755920
H -4.177492 3.113714 1.524454
H -4.953579 2.996677 -0.810436
H -6.405817 1.968103 -1.145519
H -0.201377 0.121502 -3.580524
H 1.270874 -0.531661 -2.781194
H 0.132264 -1.651598 -3.613662
H -1.749502 -3.237467 -1.929851
H 1.718138 -2.996165 1.675900
H -1.258191 -5.272151 -0.526933
H 0.487119 -5.140520 1.283767
H 4.096263 -0.955148 -1.371062
H 2.721157 -2.086733 -1.182961
H 4.018627 -2.061660 0.041141
H 1.683689 2.166913 0.338411
H 5.303567 -0.236626 0.649539
H 3.004491 4.203333 0.885886
H 6.611420 1.799816 1.193672
H 5.477431 4.044112 1.327595


