%chk=000039147.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039147

0 1
 O  -0.9271000      -3.297200       1.026700    
 O   -2.383900      -2.594800      -1.301500    
 O   0.2115000       1.678500      0.4226000    
 O    2.506800       3.198300      0.9911000    
 N    3.098700     -9.8000001E-03 -0.7595000    
 C   -1.746100      -2.133200      0.9846000    
 C   -2.899800      -2.368000      1.1400000E-02
 C  -0.9035000     -0.9276000      0.5658000    
 C   -3.836200      -1.157500     -9.8000001E-03
 C   -1.738800      0.2794000      0.2228000    
 C   -3.109200      0.1672000     -7.9300001E-02
 C   -1.119300       1.536700      0.1554000    
 C    3.658200      -1.275700     -0.3056000    
 C   -3.837700       1.321300     -0.4076000    
 C    2.466900       2.299800     -0.1213000    
 C    3.041700      0.9551000      0.3302000    
 C    1.027200       2.203800     -0.6213000    
 C   -1.852800       2.673500     -0.1818000    
 C   -3.212000       2.566500     -0.4606000    
 C    3.703200      -2.243600      -1.492600    
 C    5.075100      -1.022400      0.2203000    
 C    2.777100      -1.850500      0.8099000    
 H   -2.143000      -1.970300       1.994600    
 H   -3.454800      -3.271500      0.2882000    
 H  -0.2891000      -1.182800     -0.3066000    
 H  -0.2110000     -0.6947000       1.384300    
 H   -4.439900      -1.155200      0.9062000    
 H   -4.515400      -1.235900     -0.8676000    
 H   -4.901200       1.253900     -0.6243000    
 H    3.096800       2.731600     -0.9074000    
 H    2.439200      0.6118000       1.176800    
 H    4.035400       1.183600      0.7295000    
 H    2.163500     -0.1661000      -1.133000    
 H   0.9488000       1.574700      -1.514800    
 H   0.6924000       3.214900     -0.8798000    
 H   -1.389800       3.655700     -0.2110000    
 H   -3.786800       3.452300     -0.7147000    
 H   -1.485500      -4.039200       1.315100    
 H   -3.140600      -2.758700      -1.889600    
 H    4.127500      -3.210600      -1.199000    
 H    4.319300      -1.846900      -2.308100    
 H    2.700200      -2.432500      -1.893500    
 H    5.098700     -0.5353000       1.200900    
 H    5.669900     -0.4255000     -0.4815000    
 H    5.604300      -1.974900      0.3504000    
 H    3.095800      -2.874400       1.044100    
 H    1.730900      -1.917000      0.5030000    
 H    2.836600      -1.302500       1.755000    
 H    1.907900       2.851000       1.674200    


%chk=000039147-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039147

0 1
O -2.529999 -2.480302 3.021870
O -3.237461 -2.995422 0.359441
O 0.095896 1.033100 0.381566
O 2.050575 2.059256 2.236615
N 3.210284 -0.077331 -0.670191
C -2.947845 -1.408627 2.109924
C -3.975472 -1.941440 1.097708
C -1.735846 -0.788613 1.386700
C -4.492153 -0.816656 0.184628
C -2.125475 0.158104 0.261524
C -3.410417 0.125765 -0.335343
C -1.164437 1.081104 -0.245138
C 4.395033 -0.953835 -0.950356
C -3.717151 1.000298 -1.410289
C 2.354809 1.724431 0.835616
C 2.896573 0.276015 0.732333
C 1.139170 1.983998 -0.059137
C -1.469576 1.960980 -1.307639
C -2.757464 1.911721 -1.888247
C 4.384014 -1.220980 -2.475566
C 5.694199 -0.197485 -0.576548
C 4.326869 -2.308802 -0.183006
H -3.440244 -0.662176 2.757313
H -4.821315 -2.405816 1.646039
H -1.127635 -1.612815 0.962986
H -1.095036 -0.275153 2.123861
H -5.233191 -0.228322 0.765912
H -5.056448 -1.250782 -0.665529
H -4.713187 0.963540 -1.867838
H 3.151574 2.428449 0.539395
H 2.159281 -0.411826 1.202721
H 3.813104 0.234078 1.344232
H 2.377545 -0.446190 -1.150610
H 1.396658 1.809571 -1.121686
H 0.778547 3.021647 0.079684
H -0.726957 2.667757 -1.687128
H -3.002079 2.585969 -2.716265
H -2.264820 -3.245019 2.444936
H -3.850614 -3.454395 -0.265375
H 5.239974 -1.854895 -2.768027
H 4.442089 -0.268181 -3.030919
H 3.456518 -1.744402 -2.780773
H 5.759863 0.000204 0.508950
H 5.732784 0.770220 -1.106684
H 6.579926 -0.795130 -0.859138
H 5.213165 -2.934285 -0.399628
H 3.424574 -2.879072 -0.475684
H 4.288665 -2.145275 0.909821
H 1.243234 1.542319 2.494271


