%chk=000173218.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173218

1 1
 O   0.3996000       1.922200       2.462600    
 O   -1.413200       1.812600       1.089700    
 O    3.206300      -2.575500      -1.537700    
 N    1.326100       2.534800     -0.5194000    
 N    3.414300      -1.175800      0.3031000    
 C    2.269500       1.588000      0.1238000    
 C   0.4658000       3.248100      0.5331000    
 C    3.126800      0.9330000     -0.9514000    
 C    2.085400       3.603800      -1.318100    
 C   0.3860000       1.797900      -1.483600    
 C    4.093700     -9.3999997E-02 -0.3711000    
 C   -1.340800      -1.863900      0.7543000    
 C  -2.8300000E-02  -2.383300      0.1570000    
 C   -2.427300      -1.615700     -0.2954000    
 C    1.036100      -2.704200       1.211900    
 C   -3.715800      -1.029000      0.2910000    
 C  -0.3079000       2.261100       1.354800    
 C    2.305500      -3.290900      0.5938000    
 C   -4.777500     -0.7102000     -0.7640000    
 C    3.024400      -2.337800     -0.3468000    
 C   -6.041800     -0.1383000     -0.1209000    
 C   -7.086800      0.2172000      -1.166600    
 H    1.695900      0.8220000      0.6541000    
 H    2.885700       2.140600      0.8427000    
 H    1.130000       3.848100       1.165900    
 H  -0.2276000       3.927100      2.3900000E-02
 H    3.745100       1.668000      -1.475700    
 H    2.520100      0.4140000      -1.699400    
 H    2.862300       4.028600     -0.6758000    
 H    1.370300       4.380900      -1.606800    
 H    2.509500       3.166100      -2.224900    
 H   1.2800000E-02  0.8914000     -0.9999000    
 H  -0.4427000       2.467400      -1.735800    
 H   0.9213000       1.549800      -2.403900    
 H    4.757700      0.3777000      0.3613000    
 H    4.717700     -0.5083000      -1.170700    
 H   -1.139700     -0.9351000       1.300800    
 H   -1.714900      -2.587400       1.489100    
 H   0.3589000      -1.635500     -0.5451000    
 H  -0.2375000      -3.288000     -0.4274000    
 H   -2.037300     -0.9279000      -1.056000    
 H   -2.658800      -2.557100     -0.8085000    
 H    1.259000      -1.800100       1.789100    
 H   0.6278000      -3.434800       1.920900    
 H   -3.474000     -0.1132000      0.8438000    
 H   -4.128900      -1.737200       1.020000    
 H    3.248700      -1.076500       1.299900    
 H    2.068200      -4.206200      3.9000001E-02
 H    3.005900      -3.570500       1.389900    
 H   -4.370700      9.8000001E-03  -1.484300    
 H   -5.026100      -1.621100      -1.321800    
 H   -6.465600     -0.8671000      0.5797000    
 H   -5.792800      0.7600000      0.4560000    
 H   -6.704700      0.9706000      -1.862800    
 H   -7.982100      0.6228000     -0.6851000    
 H   -7.381100     -0.6657000      -1.742700    
 H  -8.0799997E-02   1.271700       3.017900    


%chk=000173218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173218

1 1
O -1.340305 3.778029 -0.437369
O -0.566771 1.584152 -0.324925
O 3.441604 -1.147163 -1.377407
N 2.142240 2.553560 -1.084754
N 2.910940 -1.154956 0.888670
C 2.400458 1.803109 0.263894
C 0.931156 3.480611 -0.955255
C 3.801181 1.176978 0.364545
C 3.335790 3.447269 -1.431539
C 1.922592 1.541501 -2.222259
C 3.824916 -0.065837 1.295332
C -1.679888 -2.404541 0.487570
C -0.333142 -2.197037 -0.241711
C -2.788408 -1.440644 0.007072
C 0.768695 -3.167290 0.240470
C -4.137547 -1.655682 0.729334
C -0.375222 2.797631 -0.537458
C 2.108243 -3.028920 -0.528060
C -5.240635 -0.674022 0.273259
C 2.861011 -1.704066 -0.386149
C -6.597785 -0.909633 0.975215
C -7.692377 0.080508 0.523033
H 1.618174 1.030617 0.322128
H 2.227686 2.548562 1.061374
H 1.168575 4.268047 -0.219495
H 0.767756 3.973627 -1.929554
H 4.534881 1.904230 0.756535
H 4.148485 0.820265 -0.618379
H 3.557540 4.107015 -0.578242
H 3.084628 4.048861 -2.318960
H 4.205459 2.815268 -1.652502
H 0.970060 1.022567 -2.046819
H 1.900803 2.090179 -3.177101
H 2.734714 0.797488 -2.211535
H 3.561098 0.216556 2.330827
H 4.869359 -0.434768 1.310920
H -1.532604 -2.276132 1.580756
H -2.016315 -3.451834 0.341996
H -0.004310 -1.145259 -0.104788
H -0.482705 -2.338810 -1.332130
H -2.450203 -0.393652 0.155104
H -2.935836 -1.569339 -1.085823
H 0.917959 -3.052289 1.336352
H 0.414418 -4.207981 0.108178
H -3.989828 -1.555817 1.825219
H -4.483190 -2.696005 0.557786
H 2.437430 -1.669647 1.634457
H 1.939548 -3.172330 -1.609407
H 2.804266 -3.832256 -0.210027
H -4.908542 0.369285 0.465337
H -5.379260 -0.759832 -0.825028
H -6.932732 -1.947562 0.775945
H -6.459159 -0.834408 2.073107
H -7.400987 1.125519 0.742357
H -8.650703 -0.115097 1.037100
H -7.873277 0.003212 -0.565688
H -2.228237 3.403164 -0.184008


