%chk=000030920.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030920

0 1
 O  -3.0500000E-02   1.421700      -2.102000    
 O    1.899300     -0.1283000      -2.649300    
 N   -3.210200      -1.410500      0.8607000    
 C   0.2673000      0.4884000      -1.035800    
 C   -3.464800     -0.4805000     -0.2461000    
 C  -0.9300000     -0.4315000     -0.8464000    
 C   -2.199400      0.3676000     -0.5243000    
 C   0.5656000       1.350400      0.1424000    
 C   0.6301000       2.675800     -0.2672000    
 C   0.3817000       2.757300      -1.725900    
 C   -4.668900      0.3953000      0.1256000    
 C   -3.805500      -1.299600      -1.502700    
 C    1.466100     -0.2769000      -1.509000    
 C   0.7743000       1.004900       1.468100    
 C   0.9097000       3.694900      0.6264000    
 C   -4.379300      -2.255300       1.090500    
 C   -2.861500     -0.6722000       2.071700    
 C    2.133900      -1.227100     -0.5753000    
 C    1.052000       2.022200       2.383900    
 C    1.119600       3.359700       1.965200    
 C    1.710800      -2.537600     -0.5489000    
 C    3.151700     -0.7602000      0.2264000    
 C    2.337800      -3.426600      0.3242000    
 C    3.778600      -1.649200       1.099500    
 C    3.371600      -2.982500       1.148300    
 H   -1.091300      -1.005600      -1.767100    
 H  -0.7356000      -1.154700     -4.7300000E-02
 H   -2.423400       1.011600      -1.387100    
 H   -2.034000       1.076900      0.2931000    
 H  -0.4265000       3.450100      -1.974000    
 H    1.290500       3.011200      -2.279100    
 H   -4.503600       1.042400      0.9915000    
 H   -4.863900       1.088200     -0.7051000    
 H   -5.609200     -0.1469000      0.2582000    
 H   -3.122000      -2.144400      -1.648200    
 H   -3.735600     -0.6725000      -2.400400    
 H   -4.829600      -1.689600      -1.496600    
 H   0.7097000     -2.4000000E-02   1.804700    
 H   0.9645000       4.728000      0.3010000    
 H   -4.660700      -2.869700      0.2312000    
 H   -5.261200      -1.733800       1.474200    
 H   -4.120400      -2.991900       1.863200    
 H   -1.957100     -6.8800002E-02   1.980900    
 H   -2.612000      -1.399100       2.856400    
 H   -3.666600     -5.9599999E-02   2.487900    
 H    1.214800       1.777200       3.429900    
 H    1.338000       4.139500       2.689600    
 H   0.9105000      -2.891000      -1.191900    
 H    3.484700      0.2725000      0.1838000    
 H    2.021700      -4.465100      0.3612000    
 H    4.585700      -1.304100       1.738900    
 H    3.860500      -3.675000       1.827400    


%chk=000030920-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030920

0 1
O -0.115036 1.604913 -2.000728
O 2.322467 0.522596 -2.149964
N -3.235230 -1.263318 0.932649
C 0.204543 0.620539 -0.937612
C -3.545110 -0.541085 -0.360915
C -0.996997 -0.339670 -0.813566
C -2.350006 0.396425 -0.730368
C 0.476237 1.501720 0.289641
C 0.647355 2.843374 -0.129544
C 0.459634 2.921764 -1.633565
C -4.835557 0.330295 -0.267031
C -3.729387 -1.584408 -1.495890
C 1.593537 -0.044698 -1.289698
C 0.613330 1.141638 1.643551
C 0.945837 3.851413 0.805522
C -4.146376 -2.376110 1.279645
C -3.032504 -0.385537 2.107642
C 2.155357 -1.218209 -0.519628
C 0.907398 2.155442 2.588543
C 1.072121 3.498712 2.173151
C 1.413098 -2.347783 -0.079902
C 3.558483 -1.188185 -0.276354
C 2.059798 -3.412085 0.587101
C 4.197371 -2.239511 0.408927
C 3.448121 -3.358763 0.844560
H -0.995775 -1.027780 -1.679822
H -0.899544 -0.950443 0.100804
H -2.571716 0.874478 -1.700658
H -2.274143 1.222420 0.002545
H -0.260389 3.695702 -1.955226
H 1.422016 3.065179 -2.163550
H -4.716398 1.153289 0.461165
H -5.064622 0.783266 -1.249154
H -5.709085 -0.277187 0.035038
H -2.936112 -2.351677 -1.461401
H -3.678868 -1.077556 -2.476048
H -4.707908 -2.093121 -1.435807
H 0.502915 0.099161 1.963929
H 1.076906 4.892392 0.488865
H -4.189741 -3.116730 0.465641
H -5.192089 -2.055156 1.515402
H -3.750533 -2.889871 2.175319
H -2.265932 0.378734 1.901704
H -2.671040 -1.000994 2.952611
H -3.958810 0.137831 2.449688
H 1.011014 1.897120 3.648196
H 1.299832 4.272143 2.915268
H 0.344953 -2.431604 -0.286238
H 4.129336 -0.327752 -0.640332
H 1.477155 -4.285041 0.901575
H 5.275115 -2.191620 0.599522
H 3.942882 -4.182650 1.371098


