%chk=000116729.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116729

1 1
 O   -1.391800      0.7877000       1.998500    
 N    3.031100      0.3308000     -0.1701000    
 C   0.8923000     -0.3191000      0.7161000    
 C    2.076100     -0.5274000     -0.1884000    
 C   0.5067000      -1.671000       1.334300    
 C    2.145400      -1.662900      -1.162000    
 C   0.4329000      -2.808100      0.3110000    
 C    1.748000      -2.955100     -0.4559000    
 C    3.078700       1.500100      0.7477000    
 C    4.217600      0.2712000      -1.064900    
 C    4.511500       1.988000      0.5828000    
 C    4.851000       1.640500     -0.8607000    
 C  -0.2591000      0.3032000     -7.2400004E-02
 C   -1.479100      0.5455000      0.7969000    
 C   -2.828300      0.4848000      0.1613000    
 C   -2.949100      0.8356000      -1.163800    
 C   -3.898900      8.0499999E-02  0.9253000    
 C   -4.210100      0.7790000      -1.757600    
 C   -5.159800      2.3800001E-02  0.3317000    
 C   -5.315300      0.3731000      -1.009800    
 H    1.109900      0.3332000       1.564400    
 H  -0.4398000      -1.617400       1.881700    
 H    1.268800      -1.938200       2.079400    
 H    1.442900      -1.452300      -1.977100    
 H    3.127300      -1.824600      -1.610900    
 H  -0.3911000      -2.634200     -0.3903000    
 H   0.2122000      -3.747600      0.8309000    
 H    1.656200      -3.763000      -1.190600    
 H    2.540700      -3.246800      0.2447000    
 H    2.908900       1.195700       1.783300    
 H    2.347600       2.237500      0.4037000    
 H    3.911500      0.1329000      -2.105600    
 H    4.869000     -0.5351000     -0.7136000    
 H    5.180000       1.444600       1.262800    
 H    4.612300       3.056400      0.7946000    
 H    4.395200       2.375000      -1.536900    
 H    5.928200       1.631500      -1.050700    
 H  -0.5250000     -0.3469000     -0.9129000    
 H   4.8900001E-02   1.270000     -0.4886000    
 H   -2.109400       1.173100      -1.762400    
 H   -3.790900     -0.1993000       1.968700    
 H   -4.332300       1.055100      -2.800900    
 H   -6.020400     -0.2933000      0.9134000    
 H   -6.297300      0.3298000      -1.471800    


%chk=000116729-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116729

1 1
O -0.122352 0.973878 -0.602700
N 2.610076 0.368445 0.221208
C 0.748286 -1.181703 0.798931
C 1.681908 -0.493014 -0.188451
C 1.268784 -2.650794 0.992891
C 1.782265 -1.150976 -1.545958
C 1.453669 -3.401054 -0.347612
C 2.333026 -2.603210 -1.336732
C 2.685336 0.955263 1.607145
C 3.599768 1.053900 -0.689146
C 3.992644 1.773785 1.598333
C 4.099923 2.260542 0.133691
C -0.729341 -1.156730 0.322873
C -1.093101 0.211421 -0.259555
C -2.501401 0.614008 -0.455753
C -3.585247 -0.250257 -0.123585
C -2.776487 1.900822 -1.006192
C -4.913525 0.165938 -0.338474
C -4.104355 2.313427 -1.215029
C -5.175474 1.447072 -0.881279
H 0.782949 -0.663003 1.771838
H 0.563285 -3.192699 1.649570
H 2.237663 -2.615134 1.528973
H 0.779657 -1.207365 -2.002166
H 2.426070 -0.593288 -2.242363
H 0.471035 -3.611710 -0.813187
H 1.915170 -4.385478 -0.149702
H 2.370915 -3.106549 -2.318968
H 3.373618 -2.551196 -0.960264
H 2.688810 0.157518 2.366989
H 1.798909 1.599150 1.759932
H 3.101545 1.354465 -1.624448
H 4.419597 0.351191 -0.926112
H 4.851159 1.129459 1.858669
H 3.956958 2.602144 2.322977
H 3.442171 3.131634 -0.031829
H 5.125178 2.547782 -0.147294
H -1.384327 -1.418351 1.172307
H -0.918780 -1.923395 -0.454812
H -3.401551 -1.245175 0.295473
H -1.935953 2.554187 -1.260923
H -5.744008 -0.500048 -0.084458
H -4.311825 3.302328 -1.635574
H -6.209448 1.769071 -1.043932


