%chk=000045272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045272

0 1
 O  -0.4574000      -1.087800     -0.6942000    
 O   -1.670000      0.9696000      0.7271000    
 O   7.0799999E-02  -2.121100       1.307600    
 O   -2.086800       2.050300      -1.277200    
 N    4.522900     -2.1700000E-02 -0.2590000    
 N   -1.255500      -3.255500     -0.2298000    
 N   -3.857400       1.460100      0.1107000    
 C    3.828200       1.241400     -0.5145000    
 C    2.375100       1.166700     -0.1878000    
 C    1.624400      6.4000003E-02 -0.5960000    
 C    1.766400       2.199400      0.5254000    
 C   0.2650000     -5.7000001E-03 -0.2910000    
 C  -0.3080000       1.028800      0.4142000    
 C   0.4072000       2.129700      0.8304000    
 C    4.408000     -0.3904000       1.151000    
 C    5.928100      8.1699997E-02 -0.6487000    
 C  -0.5045000      -2.164100      0.2207000    
 C   -2.504800       1.539100     -0.2389000    
 C   -1.396100      -4.440900      0.6037000    
 C   -1.937000      -3.295000      -1.519600    
 C   -4.875500       2.003000     -0.7773000    
 C   -4.343000      0.8483000       1.343300    
 H    3.910100       1.501200      -1.578200    
 H    4.305500       2.057200      4.5600001E-02
 H    2.080400     -0.7426000      -1.165100    
 H    2.337800       3.065200      0.8494000    
 H  -6.6399999E-02   2.932900       1.386100    
 H    3.380200     -0.6179000       1.450100    
 H    4.798500      0.3894000       1.815800    
 H    4.975500      -1.308200       1.347200    
 H    6.463500      0.8467000     -7.4500002E-02
 H    6.015800      0.3252000      -1.713500    
 H    6.439000     -0.8770000     -0.5049000    
 H   -2.457700      -4.599400      0.8140000    
 H  -0.8581000      -4.336500       1.549200    
 H  -0.9972000      -5.302600      6.0600001E-02
 H   -3.007300      -3.437800      -1.344900    
 H   -1.545200      -4.137700      -2.096400    
 H   -1.792400      -2.376900      -2.092200    
 H   -5.551700       1.195600      -1.072700    
 H   -4.435300       2.444200      -1.675000    
 H   -5.436600       2.773400     -0.2406000    
 H   -5.014400      2.4700001E-02   1.082600    
 H   -4.895100       1.601700       1.912700    
 H   -3.534900      0.4592000       1.965400    


%chk=000045272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045272

0 1
O -0.303748 -0.973114 -0.634516
O -1.589959 1.206208 0.719305
O -0.648514 -1.751754 1.577247
O -2.218323 1.424175 -1.556339
N 4.753245 0.044684 -0.191234
N -1.769179 -2.705220 -0.260641
N -3.766469 0.790985 0.100480
C 4.086129 1.357300 -0.340057
C 2.590923 1.307291 -0.040775
C 1.827424 0.176558 -0.419393
C 1.937798 2.398804 0.580376
C 0.444671 0.147093 -0.185497
C -0.206608 1.252578 0.412899
C 0.542506 2.376294 0.800351
C 4.805657 -0.417551 1.211159
C 6.075392 0.005415 -0.844233
C -0.907309 -1.820329 0.351115
C -2.522305 1.150400 -0.370769
C -2.390730 -3.757963 0.556635
C -2.055467 -2.714157 -1.704900
C -4.902450 0.810999 -0.833138
C -4.047853 0.429743 1.499825
H 4.231728 1.677999 -1.391707
H 4.559307 2.148058 0.299121
H 2.326565 -0.683227 -0.876604
H 2.519008 3.274401 0.892591
H 0.024577 3.216006 1.273446
H 3.787576 -0.446903 1.634600
H 5.435410 0.239525 1.863703
H 5.221871 -1.439930 1.248582
H 6.821324 0.705104 -0.387222
H 5.973378 0.265101 -1.913468
H 6.489273 -1.016796 -0.778263
H -3.494431 -3.690234 0.502311
H -2.071353 -3.633419 1.602102
H -2.083111 -4.760220 0.200197
H -3.146257 -2.814703 -1.861693
H -1.550636 -3.564145 -2.205331
H -1.711193 -1.776680 -2.160837
H -5.362118 -0.193684 -0.905403
H -4.541838 1.115292 -1.827059
H -5.674814 1.526696 -0.491096
H -4.666331 -0.487703 1.524832
H -4.601432 1.238801 2.016065
H -3.107237 0.242121 2.034035


