%chk=000002168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002168

0 1
 O    4.691200      -1.889200     -0.2445000    
 N    3.060600      0.4458000     -0.3267000    
 C    1.838900       1.183200     -0.6441000    
 C    1.222000       1.846900      0.6040000    
 C    2.778600     -0.6483000      0.6131000    
 C    3.670100     -0.1006000      -1.546900    
 C    4.075000      -1.393100      0.9485000    
 C    4.954000     -0.8722000      -1.218300    
 C  -7.4100003E-02   2.610600      0.2495000    
 C   -4.726100     -0.7657000     -0.2763000    
 C    2.208800       2.818900       1.265300    
 C   -1.291000       1.727900      0.1119000    
 C    3.796800      -2.588800       1.851300    
 C    6.112200      2.7899999E-02 -0.7902000    
 C   -3.524300      0.1064000     -0.1404000    
 C   -4.700100      -2.005500      0.7000000    
 C   -1.600900       1.187000      -1.125600    
 C   -2.075300       1.474300       1.225800    
 C   -4.990700      -1.327700      -1.716000    
 C   -6.018900      4.4199999E-02  7.4000001E-02
 C   -2.725100      0.3710000      -1.252600    
 C   -3.199400      0.6582000       1.098900    
 C   -3.482300      -2.911100      0.5394000    
 H    1.111100      0.5120000      -1.114300    
 H    2.069500       1.967900      -1.376600    
 H   0.9455000       1.095700       1.351400    
 H    2.045300      -1.342300      0.1805000    
 H    2.380400     -0.2827000       1.563300    
 H    3.903600      0.7062000      -2.252000    
 H    2.964500     -0.7804000      -2.043500    
 H    4.776300     -0.7313000       1.470400    
 H    5.272000      -1.401100      -2.124600    
 H   6.5800004E-02   3.195800     -0.6694000    
 H  -0.2919000       3.356900       1.026100    
 H    3.112900       2.305900       1.607900    
 H    1.757400       3.294000       2.143100    
 H    2.508500       3.610600      0.5701000    
 H    4.727700      -3.120300       2.076700    
 H    3.335700      -2.278300       2.793700    
 H    3.136100      -3.309500       1.356700    
 H    6.980200     -0.5780000     -0.5092000    
 H    6.403300      0.6982000      -1.605200    
 H    5.861500      0.6457000      7.7500001E-02
 H   -5.605000      -2.609700      0.5537000    
 H   -4.733900      -1.663800       1.742200    
 H  -0.9907000       1.393000      -2.000200    
 H   -1.828800       1.897000       2.195600    
 H   -5.878300      -1.971600      -1.730100    
 H   -4.151700      -1.926300      -2.086000    
 H   -5.171500     -0.5177000      -2.432900    
 H   -6.013900      0.3949000       1.112000    
 H   -6.919500     -0.5671000     -5.6699999E-02
 H   -6.114500      0.9257000     -0.5712000    
 H   -2.933000     -2.8800000E-02  -2.238800    
 H   -3.803500      0.4688000       1.981400    
 H   -3.435100      -3.351900     -0.4600000    
 H   -3.538200      -3.735000       1.258700    
 H   -2.548200      -2.374000      0.7271000    


%chk=000002168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002168

0 1
O 4.695753 -1.978434 -0.074888
N 2.956362 0.321114 -0.272984
C 1.792835 1.154887 -0.668930
C 1.291937 2.091402 0.459588
C 2.578346 -0.849923 0.558429
C 3.758920 -0.134306 -1.435497
C 3.838760 -1.578814 1.066393
C 5.048310 -0.840186 -0.960390
C -0.034693 2.797566 0.034851
C -4.753940 -0.837604 -0.162570
C 2.373083 3.127675 0.834543
C -1.242137 1.873433 -0.040707
C 3.518169 -2.870072 1.820493
C 6.055768 0.119416 -0.298309
C -3.519903 0.095527 -0.148453
C -4.466380 -2.134456 0.671632
C -1.791233 1.453458 -1.275524
C -1.857253 1.389958 1.144679
C -5.179430 -1.233441 -1.600394
C -5.952989 -0.090810 0.500821
C -2.904049 0.581403 -1.328981
C -2.967566 0.524837 1.090861
C -3.296103 -3.005106 0.165879
H 0.945326 0.522663 -1.032127
H 2.110249 1.790193 -1.520944
H 1.068919 1.477557 1.357037
H 1.950993 -1.574262 -0.024008
H 1.983595 -0.508262 1.425247
H 4.027677 0.743947 -2.051994
H 3.181955 -0.846722 -2.078738
H 4.406131 -0.881609 1.719564
H 5.523704 -1.338576 -1.825419
H 0.127098 3.292781 -0.943936
H -0.232596 3.605211 0.767612
H 3.331011 2.617962 1.038107
H 2.081650 3.709984 1.728712
H 2.536127 3.843175 0.004266
H 4.451639 -3.362241 2.142628
H 2.904133 -2.659800 2.715420
H 2.967370 -3.571144 1.168456
H 6.872143 -0.456196 0.171796
H 6.499134 0.789581 -1.058606
H 5.564746 0.747909 0.463982
H -5.397394 -2.737770 0.687940
H -4.270147 -1.845654 1.723335
H -1.345935 1.814877 -2.211452
H -1.465277 1.705672 2.120493
H -6.033857 -1.933932 -1.554158
H -4.366465 -1.731096 -2.158334
H -5.503139 -0.350605 -2.182056
H -5.730320 0.185068 1.547617
H -6.853511 -0.734282 0.502698
H -6.191405 0.837608 -0.049724
H -3.290804 0.285685 -2.309080
H -3.414324 0.181964 2.031843
H -3.490568 -3.407726 -0.844607
H -3.134058 -3.866589 0.839726
H -2.356769 -2.424293 0.125661


