%chk=000019854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019854

0 1
 O   -3.372500      -2.025800      3.2000002E-02
 O  -0.3549000       1.169700       1.476700    
 O    1.172100      -2.855700     -0.2169000    
 N   -1.901500     -0.3980000      0.7667000    
 N   -1.109500      -2.485800     -0.1117000    
 N   0.4556000     -0.8284000      0.6377000    
 C   -4.874500     -0.2203000     -0.5331000    
 C    1.681900       2.171000      0.6498000    
 C    3.140500      -1.673800     -0.9679000    
 C   -5.906500      0.6574000     -0.1240000    
 C    3.036700       2.507000      0.8827000    
 C    4.449200      -1.216500     -0.6839000    
 C   -4.367900      -1.158200      0.3812000    
 C   0.9665000       1.516900       1.657100    
 C    2.448600      -2.390100      1.3400000E-02
 C   -4.380100     -0.1344000      -1.844800    
 C    1.094300       2.502600     -0.5820000    
 C    2.573600      -1.396900      -2.222500    
 C   -6.401400      0.5714000       1.187400    
 C    3.624500       2.175900       2.114500    
 C    5.016100      -1.492900      0.5708000    
 C   -6.413500       1.595000      -1.038500    
 C    3.764000       3.164600     -0.1229000    
 C    5.152500     -0.4956000      -1.662800    
 C   -4.871300      -1.229600       1.680500    
 C    1.554600       1.192200       2.873400    
 C    3.016000      -2.660200       1.252500    
 C   -5.886200     -0.3665000       2.082800    
 C    2.887000       1.522800       3.102400    
 C    4.303000      -2.210300       1.531900    
 C   -4.895100      0.8034000      -2.740000    
 C    1.831800       3.155700      -1.569800    
 C    3.286800     -0.6797000      -3.183500    
 C   -5.910100       1.666500      -2.337700    
 C    3.164200       3.486300      -1.340900    
 C    4.573900     -0.2297000      -2.904200    
 C   -2.067700      -1.617800      0.2386000    
 C  -0.6108000     -6.9799997E-02  0.9383000    
 C   0.1299000      -2.022400      0.1167000    
 H   -3.591800     -0.7953000      -2.197700    
 H   5.4900002E-02   2.265300     -0.7960000    
 H    1.572700      -1.735600      -2.479200    
 H   -7.194600       1.235900       1.523800    
 H    4.664800       2.423400       2.314800    
 H    6.020200      -1.149700      0.8116000    
 H   -7.206900       2.279600     -0.7457000    
 H    4.807100       3.431200      3.3900000E-02
 H    6.159100     -0.1330000      -1.465500    
 H   -4.477500      -1.957600       2.384700    
 H   0.9865000      0.6842000       3.647600    
 H    2.467000      -3.218600       2.005500    
 H   -6.278000     -0.4227000       3.094200    
 H    3.353900       1.271200       4.050200    
 H    4.752600      -2.416300       2.498800    
 H   -4.504600      0.8586000      -3.752000    
 H    1.365400       3.406300      -2.518200    
 H    2.836900     -0.4722000      -4.150000    
 H   -6.311100       2.396100      -3.035300    
 H    3.738100       3.993700      -2.110800    
 H    5.128000      0.3299000      -3.652000    


%chk=000019854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019854

0 1
O -3.031108 -0.666067 -0.774453
O 0.493768 1.881623 0.875992
O 1.133766 -2.527581 -0.755327
N -1.263925 0.678603 0.083025
N -0.954840 -1.585796 -0.751899
N 0.940185 -0.324528 0.095499
C -5.363466 -0.328532 -1.071342
C 1.835289 3.571857 1.875559
C 3.416721 -2.966408 -1.442689
C -6.560745 0.476422 -0.948740
C 3.113299 4.087487 2.320367
C 4.811712 -3.159963 -1.097199
C -4.124969 0.235655 -0.599355
C 1.813322 2.261764 1.277036
C 2.517261 -2.605221 -0.387292
C -5.450735 -1.637267 -1.648565
C 0.657589 4.370519 2.044315
C 2.992389 -3.141767 -2.800330
C -6.474594 1.786329 -0.370418
C 4.294410 3.290980 2.151706
C 5.231448 -2.990544 0.263430
C -7.805499 -0.064337 -1.412300
C 3.160553 5.389108 2.920677
C 5.732490 -3.519452 -2.136647
C -4.050227 1.512145 -0.039251
C 2.967658 1.493277 1.117740
C 2.930411 -2.458719 0.934276
C -5.249090 2.284615 0.070245
C 4.216481 2.028639 1.564868
C 4.309665 -2.649014 1.255614
C -6.680644 -2.132023 -2.090220
C 0.740532 5.634751 2.633666
C 3.917961 -3.491410 -3.785924
C -7.867531 -1.341820 -1.972376
C 1.999976 6.149592 3.075867
C 5.297693 -3.681003 -3.453384
C -1.714121 -0.484376 -0.459206
C 0.078263 0.696090 0.335526
C 0.353823 -1.434488 -0.446900
H -4.540128 -2.235632 -1.734395
H -0.301148 3.971674 1.703464
H 1.934532 -3.007355 -3.043818
H -7.385872 2.388647 -0.281063
H 5.257233 3.690591 2.489901
H 6.287531 -3.139600 0.515679
H -8.711123 0.546634 -1.318723
H 4.129138 5.777944 3.256557
H 6.787682 -3.666993 -1.878015
H -3.093306 1.904745 0.303170
H 2.915933 0.504954 0.662298
H 2.212416 -2.198427 1.715991
H -5.185793 3.285436 0.510341
H 5.117943 1.420727 1.433929
H 4.632458 -2.530354 2.295057
H -6.739128 -3.133493 -2.530187
H -0.164437 6.239092 2.759109
H 3.588833 -3.625518 -4.821940
H -8.824119 -1.744361 -2.323176
H 2.048613 7.142720 3.535606
H 6.010070 -3.956175 -4.238676


