%chk=000090399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090399

0 1
 O    2.196800       1.955900     -0.6268000    
 O    4.419400       1.821200      0.8474000    
 N   -1.652800      0.1944000     -0.1392000    
 C  -0.3819000      0.9052000     -5.7999998E-02
 C   0.7777000      1.1300000E-02 -0.4971000    
 C   -2.758400       1.062700      0.2393000    
 C   -4.081800      0.3478000      0.1711000    
 C    2.142900      0.7219000     -0.4541000    
 C    3.355200     -4.8500001E-02 -0.2141000    
 C   -4.808100      0.3659000      -1.011500    
 C   -4.557000     -0.3188000       1.291800    
 C    4.452500      0.5249000      0.4282000    
 C    3.409600      -1.376900     -0.6359000    
 C   -6.034500     -0.2960000      -1.074500    
 C   -5.783200     -0.9808000       1.228700    
 C    5.604600     -0.2302000      0.6485000    
 C    4.561700      -2.131900     -0.4157000    
 C   -6.521900     -0.9692000      4.5499999E-02
 C    5.659100      -1.558600      0.2264000    
 H  -0.2010000       1.243600      0.9697000    
 H  -0.4102000       1.798100     -0.6949000    
 H   0.8114000     -0.8640000      0.1626000    
 H   0.6216000     -0.3342000      -1.526100    
 H   -2.795700       1.946700     -0.4111000    
 H   -2.613000       1.441800       1.259500    
 H   -1.790400     -0.1403000      -1.092900    
 H   -4.436800      0.8857000      -1.890100    
 H   -3.989100     -0.3354000       2.217800    
 H    2.578500      -1.847900      -1.153200    
 H   -6.609500     -0.2876000      -1.995900    
 H   -6.162700      -1.505600       2.100600    
 H    6.467300      0.2035000       1.147200    
 H    4.606000      -3.165200     -0.7475000    
 H   -7.476600      -1.484800     -3.7000000E-03
 H    6.556400      -2.146400      0.3969000    
 H    5.267900       2.040700       1.269100    


%chk=000090399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090399

0 1
O 2.153521 2.044856 0.555458
O 4.832237 1.938906 0.121168
N -1.664146 0.339235 -0.137107
C -0.391401 1.082885 -0.011175
C 0.787672 0.099067 0.055500
C -2.873077 1.192977 -0.117406
C -4.156965 0.370161 -0.133114
C 2.133381 0.808503 0.291548
C 3.382988 -0.022710 0.210794
C -5.291608 0.820501 -0.853020
C -4.246243 -0.843890 0.595220
C 4.695000 0.551363 0.152564
C 3.295679 -1.445237 0.208818
C -6.497802 0.082465 -0.836480
C -5.448310 -1.585606 0.609201
C 5.844002 -0.280898 0.104458
C 4.432745 -2.273183 0.167017
C -6.580118 -1.124207 -0.104286
C 5.717212 -1.682280 0.115288
H -0.421225 1.676950 0.920345
H -0.218998 1.814053 -0.837144
H 0.593423 -0.618643 0.878461
H 0.843730 -0.503674 -0.874273
H -2.902896 1.933164 -0.955600
H -2.828648 1.791748 0.816302
H -1.666697 -0.284953 -0.956968
H -5.231398 1.753063 -1.428656
H -3.360841 -1.191161 1.138313
H 2.308010 -1.912807 0.255108
H -7.367096 0.444647 -1.397407
H -5.504925 -2.521629 1.177203
H 6.840456 0.179125 0.058546
H 4.323441 -3.361980 0.176491
H -7.512957 -1.699444 -0.092479
H 6.615148 -2.308645 0.081922
H 5.790703 2.186277 0.053391


