%chk=000039284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039284

0 1
 O   -2.070600     -0.4982000       1.915400    
 O   0.8096000     -0.3403000       1.335000    
 N    3.318000      0.2692000     -0.3770000    
 N  -7.4199997E-02   1.470700      0.1065000    
 C   -1.544100     -0.3205000      0.6152000    
 C    2.407900      0.6393000      -1.460500    
 C    3.735700      -1.133200     -0.5131000    
 C    4.479300       1.169300     -0.3509000    
 C    1.872100       2.064500      -1.296300    
 C    1.100700       2.303000      3.9999999E-04
 C    4.649400      -1.551100      0.6399000    
 C    5.417300      0.8268000      0.8076000    
 C    5.859800     -0.6308000      0.7502000    
 C   -2.235900      0.7799000     -0.1449000    
 C   -1.328200       1.803500     -0.4230000    
 C  -0.1054000      0.2256000      0.7533000    
 C   -1.544900      -1.629800     -9.5799997E-02
 C   -3.557100      0.8762000     -0.5498000    
 C   -1.702100       2.941300      -1.116800    
 C   -3.951700       2.018100      -1.251400    
 C  -0.9434000      -1.744500      -1.350000    
 C   -2.146700      -2.743900      0.4914000    
 C   -3.031300       3.041400      -1.533600    
 C   -2.095800      0.7228000       2.647300    
 C  -0.9439000      -2.970200      -2.015700    
 C   -2.146900      -3.969700     -0.1743000    
 C   -2.682300      0.4637000       4.018800    
 C   -1.545500      -4.082900      -1.427900    
 H    1.569300     -6.0100000E-02  -1.499600    
 H    2.912900      0.5646000      -2.433000    
 H    2.854600      -1.786400     -0.5028000    
 H    4.251400      -1.296400      -1.468700    
 H    5.032000       1.126400      -1.298600    
 H    4.184500       2.209500     -0.1873000    
 H    2.663300       2.813500      -1.401700    
 H    1.197600       2.254100      -2.142300    
 H    1.744800       2.100800      0.8636000    
 H   0.8060000       3.355400      7.7399999E-02
 H    4.982900      -2.584400      0.4923000    
 H    4.085900      -1.528100       1.581400    
 H    6.296500       1.480300      0.7789000    
 H    4.908400       1.016600       1.761400    
 H    6.514000     -0.7809000     -0.1174000    
 H    6.443900     -0.8823000       1.642100    
 H   -4.271200      8.9299999E-02 -0.3325000    
 H   -1.003300       3.738900      -1.341000    
 H   -4.981900       2.117600      -1.582700    
 H  -0.4873000     -0.8909000      -1.840800    
 H   -2.632300      -2.701800       1.461700    
 H   -3.359600       3.920900      -2.081000    
 H   -1.090300       1.130300       2.792400    
 H   -2.728800       1.476500       2.169500    
 H  -0.4801000      -3.057200      -2.993900    
 H   -2.616800      -4.836200      0.2821000    
 H   -2.717100       1.382400       4.611200    
 H   -3.696600      5.9700001E-02   3.934200    
 H   -2.087300     -0.2812000       4.557700    
 H   -1.547100      -5.036900      -1.946800    


%chk=000039284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039284

0 1
O -2.474259 -0.581502 1.839538
O 0.583747 -0.475528 1.455110
N 3.658056 0.404315 -0.418298
N -0.111520 1.380199 0.154858
C -1.793900 -0.302731 0.564952
C 2.555450 0.582189 -1.393308
C 3.782529 -0.982290 0.104249
C 4.953380 0.930136 -0.912813
C 1.893182 1.973379 -1.248373
C 1.165613 2.114546 0.110189
C 4.812621 -1.041646 1.250635
C 6.018397 0.926478 0.203762
C 6.183605 -0.493468 0.792987
C -2.362744 0.892472 -0.188279
C -1.331490 1.839563 -0.418518
C -0.291215 0.148622 0.803676
C -1.791312 -1.621976 -0.215472
C -3.668455 1.145876 -0.627823
C -1.575538 3.045988 -1.101437
C -3.939193 2.361184 -1.311253
C -1.914607 -1.652547 -1.626320
C -1.591370 -2.834100 0.491928
C -2.900108 3.293011 -1.545064
C -2.407715 0.510274 2.837101
C -1.851287 -2.881789 -2.321037
C -1.535028 -4.060611 -0.203715
C -3.228735 0.050616 4.040661
C -1.663471 -4.090048 -1.612518
H 1.793842 -0.198453 -1.209774
H 2.904357 0.443542 -2.445799
H 2.791248 -1.296683 0.474887
H 4.095933 -1.695182 -0.704294
H 5.328592 0.319052 -1.778214
H 4.801945 1.960536 -1.287089
H 2.670168 2.759921 -1.310071
H 1.187768 2.147655 -2.084951
H 1.820400 1.692522 0.894055
H 0.965488 3.176263 0.348296
H 4.906747 -2.086670 1.603676
H 4.432636 -0.435927 2.095900
H 6.979841 1.297671 -0.201768
H 5.697617 1.622749 1.002975
H 6.607149 -1.164921 0.016848
H 6.900269 -0.482233 1.636270
H -4.461771 0.414224 -0.441257
H -0.780659 3.774995 -1.286849
H -4.953856 2.577721 -1.661220
H -2.069277 -0.721870 -2.182933
H -1.492392 -2.800077 1.579697
H -3.119132 4.225040 -2.078296
H -1.349801 0.685836 3.121663
H -2.821854 1.443442 2.401807
H -1.952101 -2.894912 -3.412256
H -1.387401 -4.993326 0.352324
H -3.209614 0.821563 4.832653
H -4.278358 -0.129519 3.750773
H -2.817260 -0.886005 4.454640
H -1.617060 -5.043366 -2.151310


