%chk=000161439.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161439

0 1
 O    3.027600       2.998600     -0.6111000    
 O   -3.587400       1.824000     -0.9156000    
 O    4.108800       1.554300       1.514500    
 O   -4.577100     -1.5100000E-02  0.9128000    
 N    1.269500      -3.142800     -0.4542000    
 C   0.9424000     -0.1775000     -0.6136000    
 C    1.223900      -2.273400      0.7467000    
 C    1.734000     -0.8791000      0.4798000    
 C    1.058300      -1.066200      -1.883400    
 C  -0.5416000     -0.1041000     -0.1920000    
 C  -0.2052000      -2.148800       1.321400    
 C   0.6452000      -2.530200      -1.637600    
 C   -1.066900      -1.060500      0.7115000    
 C    1.537900       1.186200     -0.9224000    
 C    2.751400     -0.3360000       1.161300    
 C   -1.422500      0.8470000     -0.7390000    
 C    2.636500      -3.582800     -0.7455000    
 C    2.555100       1.751900     -0.2605000    
 C   -2.421600      -1.008800       1.079300    
 C    3.208200       1.036800      0.8619000    
 C   -2.768800      0.8814000     -0.3692000    
 C   -3.266600     -4.1000001E-02  0.5435000    
 C    2.343700       4.013700      9.8300003E-02
 C   -3.699200       3.065100     -0.2223000    
 C   -5.485700     -0.7927000      0.1353000    
 H    1.819400      -2.763500       1.529200    
 H    2.092400      -1.052200      -2.256700    
 H   0.4373000     -0.6625000      -2.694800    
 H  -0.1239000      -1.927000       2.395000    
 H  -0.7213000      -3.114500       1.239400    
 H  -0.4443000      -2.591700      -1.531000    
 H   0.8625000      -3.123000      -2.535400    
 H    1.118900       1.735300      -1.763900    
 H    3.269400     -0.8760000       1.945900    
 H   -1.075200       1.570900      -1.471200    
 H    3.305400      -2.755800      -1.006100    
 H    2.639400      -4.298600      -1.575200    
 H    3.062600      -4.110200      0.1154000    
 H   -2.817700      -1.735000       1.786200    
 H    2.476000       3.904400       1.180400    
 H    1.276500       4.022600     -0.1503000    
 H    2.765600       4.979100     -0.1966000    
 H   -2.725300       3.561700     -0.1658000    
 H   -4.100900       2.909900      0.7840000    
 H   -4.387500       3.707400     -0.7783000    
 H   -5.222300      -1.853900      0.1855000    
 H   -5.489100     -0.4549000     -0.9059000    
 H   -6.489400     -0.6613000      0.5487000    


%chk=000161439-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161439

0 1
O 2.901205 3.045775 -0.917815
O -3.765132 1.749820 -0.939657
O 4.370314 1.607814 1.170712
O -4.789167 -0.348220 0.850575
N 1.366912 -3.074843 -0.333447
C 0.857813 -0.126562 -0.539477
C 1.226028 -2.198433 0.882723
C 1.683698 -0.788723 0.552044
C 1.018628 -1.047231 -1.831699
C -0.641284 -0.137118 -0.125811
C -0.227329 -2.175651 1.412585
C 0.644891 -2.519635 -1.508870
C -1.136492 -1.141217 0.756139
C 1.357307 1.252281 -0.893346
C 2.797450 -0.204681 1.085059
C -1.549552 0.806890 -0.663992
C 2.771784 -3.458753 -0.613696
C 2.480035 1.831160 -0.360877
C -2.521880 -1.181291 1.046537
C 3.294447 1.123143 0.679402
C -2.922666 0.774330 -0.354127
C -3.424450 -0.254032 0.493822
C 3.415258 4.106191 -0.017901
C -4.411238 2.662423 0.033326
C -5.714611 -0.578750 -0.283837
H 1.877482 -2.636408 1.660661
H 2.067901 -0.976663 -2.176035
H 0.370058 -0.651081 -2.636596
H -0.190353 -1.964349 2.499894
H -0.648896 -3.193030 1.300863
H -0.440475 -2.589046 -1.316410
H 0.863351 -3.160481 -2.382651
H 0.840066 1.801739 -1.688804
H 3.398691 -0.717496 1.846986
H -1.216930 1.611845 -1.324852
H 3.449283 -2.613348 -0.875550
H 2.781898 -4.180131 -1.449842
H 3.191737 -3.964845 0.274104
H -2.927286 -1.955332 1.708084
H 4.310346 3.760540 0.520587
H 2.630744 4.410182 0.701583
H 3.650549 4.945038 -0.690548
H -3.643652 3.262681 0.557605
H -5.010065 2.096257 0.769606
H -5.057339 3.321072 -0.566765
H -5.514032 -1.566601 -0.740660
H -5.613243 0.213495 -1.047221
H -6.723406 -0.567524 0.155991


