%chk=000002866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002866

0 1
 O    4.905500      0.1092000      -1.117300    
 O    4.197100      -2.594100      0.6111000    
 O    2.433400      -2.304200     -0.8525000    
 N  -0.2786000       2.070800      5.4800000E-02
 N   -2.196500      -1.112800     -0.3866000    
 C    2.091700      0.3638000     -0.1419000    
 C    2.148600       1.817600      0.3753000    
 C   0.6847000     -0.2079000      0.1134000    
 C  -0.3895000      0.6976000     -0.5113000    
 C    3.205900     -0.4749000      0.5137000    
 C    1.028700       2.664600     -0.2497000    
 C    3.526800       2.440500      0.1227000    
 C    4.593700      0.1446000      0.2770000    
 C    4.638700       1.598100      0.7526000    
 C   -1.778600      0.1836000     -0.2843000    
 C   -1.386600       2.941600     -0.3923000    
 C   -2.875800      0.9705000     -2.6000000E-03
 C   -2.746300       2.445400      0.1546000    
 C    3.209800      -1.884000     -5.2999998E-03
 C   -4.005800      0.1156000      0.1017000    
 C   -3.552300      -1.185300     -0.1430000    
 C   -5.373200      0.3157000      0.3774000    
 C   -4.404300      -2.295500     -0.1256000    
 C   -6.234900     -0.7867000      0.3989000    
 C   -5.755800      -2.071300      0.1510000    
 C    4.313600      -3.962400      0.2083000    
 H    2.248900      0.3741000      -1.230600    
 H    1.989000       1.803600       1.464400    
 H   0.5142000     -0.3037000       1.195000    
 H   0.5686000      -1.210900     -0.3007000    
 H  -0.2316000      0.7390000      -1.599100    
 H    3.009600     -0.5286000       1.593400    
 H    1.081300       3.674600      0.1758000    
 H    1.174100       2.759600      -1.333800    
 H    3.562400       3.452500      0.5435000    
 H    3.702600       2.540100     -0.9557000    
 H    5.372000     -0.4240000      0.7985000    
 H    5.604800       2.048100      0.4953000    
 H    4.543200       1.628600       1.844800    
 H   -1.416200       2.983300      -1.489500    
 H   -1.237000       3.967200     -3.3300001E-02
 H   -3.560300       2.960600     -0.3673000    
 H   -2.823600       2.693500       1.220500    
 H   -1.608800      -1.904800     -0.6073000    
 H    5.791600      0.4937000      -1.229500    
 H   -5.761500       1.311400      0.5718000    
 H   -4.033200      -3.296300     -0.3194000    
 H   -7.290200     -0.6373000      0.6112000    
 H   -6.443100      -2.913200      0.1721000    
 H    5.133000      -4.414500      0.7733000    
 H    4.546700      -4.024000     -0.8589000    
 H    3.390000      -4.503800      0.4346000    


%chk=000002866-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002866

0 1
O 4.903502 0.045947 -1.154793
O 4.176111 -2.649366 0.724758
O 2.583826 -2.390782 -0.947959
N -0.297970 2.098655 0.028363
N -2.208993 -1.117102 -0.470417
C 2.094649 0.387926 -0.147382
C 2.162943 1.858210 0.351218
C 0.684071 -0.182759 0.129352
C -0.396373 0.715349 -0.521192
C 3.221435 -0.456248 0.500878
C 1.023809 2.687913 -0.278984
C 3.547529 2.480609 0.070202
C 4.625976 0.176317 0.294123
C 4.663794 1.651490 0.740440
C -1.801628 0.217680 -0.306170
C -1.438170 2.966671 -0.367713
C -2.895720 0.996695 0.057763
C -2.755946 2.480986 0.282713
C 3.255106 -1.896132 -0.016437
C -4.043544 0.115047 0.136060
C -3.582400 -1.210426 -0.205106
C -5.415420 0.302643 0.450184
C -4.446571 -2.325149 -0.236790
C -6.283041 -0.807821 0.420016
C -5.804527 -2.107721 0.080535
C 4.343353 -4.057808 0.293717
H 2.266388 0.383141 -1.243583
H 1.989504 1.854377 1.449677
H 0.489595 -0.231849 1.218547
H 0.617664 -1.204011 -0.286966
H -0.184633 0.731570 -1.628598
H 3.060187 -0.509050 1.597642
H 1.047174 3.716301 0.129750
H 1.199993 2.765377 -1.386398
H 3.579631 3.523614 0.441949
H 3.722561 2.514430 -1.023348
H 5.367125 -0.417532 0.866443
H 5.661813 2.076839 0.510195
H 4.549408 1.689999 1.843260
H -1.565388 2.993082 -1.480704
H -1.209410 3.996366 -0.035681
H -3.608155 3.035654 -0.157989
H -2.738148 2.716427 1.365472
H -1.599772 -1.890624 -0.728127
H 5.821217 0.371246 -1.334134
H -5.795584 1.296301 0.714014
H -4.084360 -3.326011 -0.498380
H -7.344049 -0.675474 0.660668
H -6.503681 -2.951522 0.065088
H 5.105681 -4.470670 0.969342
H 4.676541 -4.096635 -0.756866
H 3.389398 -4.603269 0.390548


