%chk=000043707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043707

0 1
 O  -0.8640000      4.5600001E-02   1.344200    
 O    1.399000      5.1399998E-02   1.450100    
 O   -2.413100       2.850700       2.346600    
 O   -1.223200       3.289500      0.5548000    
 O   -6.038000     -0.3447000      -2.189900    
 O   -6.077500       1.792900      -1.691600    
 O   0.3580000      0.5174000     -0.5859000    
 O    2.982300      -2.925000       1.166400    
 O    1.932800      -2.494000     -0.7128000    
 O    6.820900       1.962200      -1.141300    
 O    6.887900     -0.1682000      -1.666500    
 N   -2.057200       2.587300       1.173800    
 N   -5.547000      0.6582000      -1.617500    
 N    2.701800      -2.155100      0.2175000    
 N    6.320800      0.8115000      -1.125400    
 C   -1.929500      -2.271200      6.8899997E-02
 C   -2.575400     -0.8994000     -2.4100000E-02
 C   -2.843100      -3.332700      0.7151000    
 C   -1.474100      -2.747200      -1.315900    
 C   -2.010800      0.2014000      0.6205000    
 C   -3.747200     -0.7479000     -0.7654000    
 C   -3.256300      -2.979500       2.138800    
 C   -2.618000       1.453400      0.5237000    
 C   -4.354300      0.5041000     -0.8622000    
 C   -3.789600       1.604800     -0.2177000    
 C   0.3119000      0.2354000      0.6057000    
 C    2.626500      0.2210000      0.8047000    
 C    3.274800     -0.8536000      0.1960000    
 C    3.202200       1.491200      0.7737000    
 C    4.498700     -0.6582000     -0.4437000    
 C    5.074500      0.6119000     -0.4746000    
 C    4.426200       1.686600      0.1341000    
 H   -1.026700      -2.222100      0.6888000    
 H   -3.745400      -3.495900      0.1136000    
 H   -2.311400      -4.292300      0.7406000    
 H  -0.9106000      -3.683100      -1.233800    
 H  -0.8223000      -2.006200      -1.792100    
 H   -2.318500      -2.930300      -1.989200    
 H   -4.177700      -1.613000      -1.263000    
 H   -3.888400      -2.087000       2.167200    
 H   -3.827500      -3.803800       2.578000    
 H   -2.378900      -2.803200       2.769200    
 H   -4.246700       2.590500     -0.2803000    
 H    2.702000       2.332400       1.246000    
 H    4.987200      -1.510200     -0.9123000    
 H    4.844600       2.689900      0.1299000    


%chk=000043707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043707

0 1
O -0.792774 0.097500 1.002010
O 1.390199 0.430592 1.148545
O -2.783687 3.723146 0.977320
O -0.735453 2.773323 0.674168
O -6.569621 -0.610702 -1.617010
O -6.538335 1.654196 -1.338382
O 0.417731 0.384307 -1.002319
O 3.228439 -2.742610 -1.151450
O 1.445959 -2.104260 0.108723
O 7.472102 1.763636 -0.177443
O 7.321288 -0.277432 -1.190871
N -2.025707 2.731135 0.664612
N -6.001141 0.486813 -1.251365
N 2.617741 -1.900550 -0.395915
N 6.824668 0.702741 -0.519254
C -2.023504 -2.351858 0.037630
C -2.704559 -0.987525 -0.054515
C -2.897899 -3.398332 0.786741
C -1.649593 -2.845530 -1.388628
C -2.052513 0.203361 0.352974
C -4.008333 -0.863707 -0.591071
C -3.201787 -3.026541 2.253555
C -2.690202 1.469902 0.244589
C -4.624709 0.397012 -0.686631
C -3.993486 1.579647 -0.268260
C 0.341739 0.307940 0.226600
C 2.710976 0.432556 0.664475
C 3.319522 -0.633780 -0.060492
C 3.475043 1.567736 1.009853
C 4.669190 -0.538565 -0.456075
C 5.397788 0.607238 -0.103734
C 4.824232 1.666317 0.634094
H -1.086117 -2.234426 0.609666
H -3.844525 -3.567024 0.234243
H -2.351705 -4.360890 0.755275
H -1.096728 -3.798514 -1.319134
H -1.004773 -2.116586 -1.909478
H -2.552429 -3.014568 -2.005261
H -4.556045 -1.744599 -0.936909
H -3.793178 -2.094937 2.326103
H -3.779453 -3.826208 2.750668
H -2.267913 -2.877830 2.826672
H -4.492740 2.549049 -0.337159
H 2.977481 2.366193 1.566646
H 5.134920 -1.351789 -1.019012
H 5.429590 2.539924 0.887907


