%chk=000120812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120812

0 1
 O  -0.3191000      -1.105900      -1.868300    
 O  -0.7154000      0.6328000       2.010900    
 O    3.541500       1.782500      -1.298700    
 N    1.351500      -3.148000     -0.7825000    
 C  -0.5967000     -0.6831000     -0.5222000    
 C  -0.5477000      -1.971600      0.3630000    
 C   0.8279000      -2.672900      0.4973000    
 C   0.4662000      0.3205000     -5.0400000E-02
 C   -1.977900     -6.6000000E-03 -0.5808000    
 C   0.7164000      -3.873800       1.438700    
 C   0.3318000      0.9079000       1.183700    
 C    1.514800      0.5867000     -0.8981000    
 C   -2.137200       1.075300      -1.409000    
 C   -2.985000     -0.5169000      0.1982000    
 C    2.488300       1.496500     -0.4852000    
 C    1.305300       1.817500       1.596600    
 C    2.657700      -3.763900     -0.6081000    
 C   -3.388900       1.688600      -1.461900    
 C   -4.236700      9.6299998E-02  0.1453000    
 C    2.383600       2.111900      0.7621000    
 C   -4.438600       1.199100     -0.6847000    
 C  -0.7430000       1.307000       3.267400    
 C    4.501100       2.720000     -0.8131000    
 H   -1.250600      -2.711900     -4.7699999E-02
 H  -0.8811000      -1.753600       1.384800    
 H    1.533000      -1.963100      0.9471000    
 H   0.1877000      -3.590400       2.356500    
 H    1.692700      -4.250500       1.760100    
 H   0.1544000      -4.697700      0.9836000    
 H    1.437600      -2.358800      -1.421700    
 H    1.628600      0.1250000      -1.872900    
 H   -1.042400      -1.687500      -2.159800    
 H   -1.331300       1.463400      -2.023500    
 H   -2.888600      -1.370300      0.8561000    
 H    1.289300       2.333200       2.550600    
 H    3.342600      -3.136500     -2.7700000E-02
 H    3.111800      -3.906300      -1.595000    
 H    2.594800      -4.760500     -0.1613000    
 H   -3.546500       2.546400      -2.109100    
 H   -5.055100     -0.2846000      0.7494000    
 H    3.104100       2.827100       1.144000    
 H   -5.413300       1.676300     -0.7262000    
 H   -1.642000      0.9688000       3.793300    
 H  -0.8380000       2.390900       3.142000    
 H   0.1129000       1.031100       3.892600    
 H    4.056700       3.709900     -0.6639000    
 H    5.268100       2.827600      -1.587100    
 H    5.004700       2.350900      8.6800002E-02


%chk=000120812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120812

0 1
O -0.208436 -1.072345 -1.874677
O -0.654575 0.489130 2.107539
O 3.554511 1.826799 -1.389518
N 1.280625 -3.282586 -0.706098
C -0.573720 -0.723769 -0.457149
C -0.553109 -2.021545 0.402028
C 0.823078 -2.707635 0.582625
C 0.497288 0.282922 0.000430
C -1.967977 -0.054195 -0.520702
C 0.708136 -3.811041 1.659712
C 0.429915 0.882888 1.296404
C 1.561126 0.638720 -0.845552
C -2.102665 1.126956 -1.297944
C -3.121500 -0.591809 0.100102
C 2.549893 1.568093 -0.436552
C 1.408469 1.812620 1.702980
C 2.684380 -3.730388 -0.736751
C -3.355282 1.757028 -1.447014
C -4.379210 0.037091 -0.049031
C 2.476961 2.161164 0.841445
C -4.502638 1.212834 -0.821948
C -0.843169 1.188363 3.377444
C 4.601131 2.776040 -1.014566
H -1.247423 -2.759007 -0.049731
H -0.930330 -1.760613 1.405686
H 1.547819 -1.940181 0.960768
H 0.387127 -3.381908 2.627536
H 1.675913 -4.318331 1.821661
H -0.026653 -4.573513 1.342142
H 1.062709 -2.628165 -1.471541
H 1.623543 0.198313 -1.842510
H -1.003080 -1.502250 -2.281463
H -1.213759 1.545121 -1.782898
H -3.047370 -1.493466 0.714825
H 1.357772 2.276495 2.692335
H 3.412668 -2.962529 -0.373177
H 2.959323 -3.994985 -1.773622
H 2.823802 -4.638093 -0.120564
H -3.439071 2.668938 -2.049214
H -5.261462 -0.391403 0.440426
H 3.224319 2.883529 1.182222
H -5.478011 1.699441 -0.935885
H -1.774505 0.778118 3.795333
H -0.952956 2.279511 3.223020
H -0.004849 0.995023 4.075881
H 4.182066 3.781186 -0.807981
H 5.270796 2.827238 -1.885830
H 5.168382 2.424995 -0.129423


