%chk=000128217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128217

0 1
 O    5.327800     -0.7861000      0.2284000    
 O    5.296400       1.618200      -1.363500    
 O    3.824400      -2.553200     -0.9620000    
 O   -6.886700       2.881700     -0.3865000    
 O   -8.369100      0.7266000      0.5510000    
 O    9.480400      0.5739000       2.082000    
 N    1.910400      -1.289400     -0.5901000    
 N  -0.9525000      -1.062600     -0.2274000    
 N   -2.923100      0.2443000     -0.2800000    
 N   -2.988100      -2.052400      0.4466000    
 N   -5.013900      -3.042000       1.119300    
 C    1.277600     -1.4000000E-02 -0.2463000    
 C    1.011700      -2.411700     -0.8473000    
 C  -0.1726000      7.4800000E-02 -0.7219000    
 C  -0.2567000      -2.332500     -6.9999998E-04
 C    3.290100      -1.480100     -0.6727000    
 C    4.148400     -0.2717000     -0.3890000    
 C   -2.324700     -0.9560000     -1.3700000E-02
 C    4.499600      0.4693000      -1.665600    
 C    6.324500      0.1535000      0.2817000    
 C    6.303700       1.323800     -0.4818000    
 C   -4.247500      0.3546000     -7.5599998E-02
 C   -5.008700     -0.7266000      0.3981000    
 C   -4.312600      -1.907500      0.6402000    
 C    7.396100     -0.1041000       1.137100    
 C   -4.909200       1.553600     -0.3295000    
 C    7.332900       2.257300     -0.3575000    
 C   -6.393000     -0.5996000      0.6080000    
 C   -6.285500       1.687800     -0.1233000    
 C   -7.028400      0.6102000      0.3459000    
 C    8.431400      0.8238000       1.250400    
 C    8.397300       2.005100      0.5085000    
 C   -6.957100       3.821600      0.6839000    
 C   -9.223600      0.4098000     -0.5466000    
 H    1.837600      0.8202000     -0.6758000    
 H    1.323100      7.6600000E-02  0.8459000    
 H    1.529200      -3.358800     -0.6606000    
 H   0.7626000      -2.380400      -1.915200    
 H  -0.5800000       1.027900     -0.3648000    
 H  -0.2129000      8.4799998E-02  -1.817900    
 H  -0.8892000      -3.186400     -0.2709000    
 H  -9.2000002E-03  -2.419300       1.064100    
 H    3.681400      0.3876000      0.3504000    
 H    5.058600     -0.1664000      -2.365200    
 H    3.602400      0.8149000      -2.188800    
 H    7.415300      -1.022800       1.718300    
 H   -4.343500       2.408000     -0.6983000    
 H    7.318900       3.175400     -0.9383000    
 H   -6.999400      -1.426900      0.9666000    
 H    9.201400       2.730600      0.5962000    
 H   -4.457600      -3.879200       1.249700    
 H   -5.771700      -2.899300       1.775100    
 H    9.342200     -0.2866000       2.514000    
 H   -5.952000       4.101500       1.015000    
 H   -7.527900       3.409400       1.522000    
 H   -7.467700       4.717400      0.3201000    
 H   -9.021000       1.070200      -1.395700    
 H   -10.25920      0.5573000     -0.2281000    
 H   -9.094000     -0.6357000     -0.8438000    


%chk=000128217-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128217

0 1
O 4.051293 -0.250801 -0.147158
O 6.672844 0.050271 -1.409002
O 3.855639 -2.997772 -2.180230
O -6.181045 3.111055 0.447661
O -7.582666 0.923462 1.773883
O 5.439240 2.966211 3.264475
N 2.027159 -1.594982 -1.824126
N -0.784010 -1.343185 -1.212125
N -2.546300 0.126850 -0.682672
N -2.555444 -2.216507 0.048534
N -4.279488 -3.145810 1.290517
C 1.427836 -0.274068 -1.477843
C 1.079877 -2.709992 -2.082682
C -0.055850 -0.250421 -1.880359
C -0.115679 -2.660988 -1.118798
C 3.381619 -1.856306 -1.867146
C 4.331745 -0.690689 -1.543280
C -2.005944 -1.118537 -0.600500
C 5.801293 -1.117989 -1.660560
C 5.045339 0.614140 0.377034
C 6.312729 0.767116 -0.242581
C -3.771303 0.302438 -0.061986
C -4.452137 -0.768900 0.631922
C -3.753210 -2.044937 0.651283
C 4.726753 1.330130 1.548975
C -4.383217 1.594165 -0.088433
C 7.246582 1.668740 0.308541
C -5.726431 -0.530599 1.221448
C -5.616978 1.819104 0.524715
C -6.319603 0.732930 1.162613
C 5.680711 2.217447 2.095308
C 6.938583 2.399217 1.472053
C -6.401819 3.775895 1.754928
C -8.674215 1.258036 0.826847
H 1.961781 0.534973 -2.010212
H 1.531524 -0.085200 -0.394901
H 1.637172 -3.653167 -1.960994
H 0.728605 -2.667492 -3.132618
H -0.525424 0.697197 -1.571399
H -0.155669 -0.327166 -2.982676
H -0.832888 -3.461101 -1.372766
H 0.220136 -2.850293 -0.079721
H 4.153494 0.175125 -2.216699
H 6.022999 -1.923998 -0.938322
H 6.040223 -1.460663 -2.676827
H 3.740516 1.183219 2.004902
H -3.865427 2.417713 -0.586416
H 8.217380 1.778376 -0.184110
H -6.297354 -1.319808 1.723983
H 7.655314 3.097153 1.912020
H -3.739216 -4.008378 1.269975
H -5.155328 -3.110486 1.801824
H 4.546287 2.760825 3.636330
H -5.429703 3.965656 2.247786
H -7.043066 3.159402 2.409643
H -6.893548 4.730897 1.516014
H -8.434291 2.173588 0.256823
H -9.566983 1.414026 1.451417
H -8.843334 0.415279 0.129788


