%chk=000173884.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173884

0 1
 O    1.786900       1.601800      0.5323000    
 O  -0.5151000       1.585500     -4.9400002E-02
 N   -1.575700      -1.722800     -0.1076000    
 N   -1.877900     -0.3619000      9.3500003E-02
 N    1.581300     -0.2240000     -0.8968000    
 N    3.661900       2.351900      -1.543000    
 C    4.724700      0.9941000      0.1944000    
 C    4.800100     -0.3402000      0.9680000    
 C    3.649700       1.034500     -0.9029000    
 C   0.3231000     -0.5864000     -0.5627000    
 C  -0.2543000      -1.794200     -0.5510000    
 C    2.243200      0.8624000     -0.3386000    
 C    5.059200      -1.489400     -1.0300000E-02
 C    5.882200     -0.3303000       2.048600    
 C  -0.7102000      0.3828000     -0.1142000    
 C   -3.201300      0.1416000      0.1548000    
 C   0.3752000      -3.101300     -0.8979000    
 C   -2.099100      -2.697900      0.8441000    
 C   -3.440800       1.437600      0.6220000    
 C   -4.277400     -0.6539000     -0.2511000    
 C   -4.743300       1.933200      0.6825000    
 C   -5.579700     -0.1583000     -0.1907000    
 C   -5.812800       1.135200      0.2761000    
 H    4.540900       1.795800      0.9232000    
 H    5.706100       1.204400     -0.2524000    
 H    3.839600     -0.5217000       1.465700    
 H    3.856900      0.2934000      -1.680000    
 H    4.210700      -1.659800     -0.6778000    
 H    5.221600      -2.427200      0.5330000    
 H    5.948200      -1.301000     -0.6219000    
 H    5.892800      -1.275800       2.601000    
 H    5.701000      0.4758000       2.767200    
 H    6.875800     -0.1788000       1.613300    
 H    2.129900     -0.9004000      -1.420100    
 H    4.578900       2.520000      -1.956100    
 H    3.537300       3.080700     -0.8406000    
 H   0.4380000      -3.747000     -1.6300000E-02
 H    1.388900      -2.982600      -1.292100    
 H  -0.2167000      -3.615400      -1.662100    
 H   -2.178200      -3.681300      0.3687000    
 H   -3.087200      -2.443100       1.234600    
 H   -1.428600      -2.785500       1.706900    
 H   -2.639500       2.079300      0.9739000    
 H   -4.136400      -1.651700     -0.6566000    
 H   -4.925800       2.938200       1.051800    
 H   -6.412000     -0.7762000     -0.5149000    
 H   -6.826800       1.521300      0.3226000    


%chk=000173884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173884

0 1
O 2.965420 -0.286267 2.508200
O -0.306584 1.130099 -1.168579
N -1.615952 -0.770667 1.544423
N -1.791628 -0.067018 0.307821
N 1.704984 0.611468 0.747002
N 4.922474 1.605144 1.878563
C 4.920268 -0.123244 0.011757
C 4.208196 -0.757049 -1.213541
C 4.141567 0.994806 0.784399
C 0.389550 0.165127 0.984746
C -0.271722 -0.560654 1.968580
C 2.881743 0.389179 1.433031
C 3.943656 0.271002 -2.341489
C 5.049814 -1.939189 -1.753566
C -0.555142 0.504037 -0.087522
C -2.907795 -0.338420 -0.541974
C 0.149609 -1.087108 3.309592
C -2.724274 -0.625552 2.521291
C -3.320533 0.653028 -1.467692
C -3.579080 -1.586744 -0.480004
C -4.411697 0.388805 -2.321700
C -4.680415 -1.827668 -1.328622
C -5.103458 -0.843285 -2.251585
H 5.169982 -0.914764 0.746890
H 5.880973 0.320231 -0.327547
H 3.231286 -1.165082 -0.879530
H 3.849512 1.790102 0.071171
H 3.260744 1.083254 -2.030944
H 3.482188 -0.220064 -3.217719
H 4.892670 0.736043 -2.673172
H 4.547615 -2.427916 -2.609172
H 5.215306 -2.704439 -0.972305
H 6.041736 -1.588671 -2.099947
H 1.754587 1.160822 -0.123794
H 5.872101 1.875260 1.603781
H 4.903396 1.022493 2.724912
H -0.300159 -0.502020 4.135519
H 1.244458 -1.012502 3.392945
H -0.157053 -2.141990 3.434770
H -2.535168 -1.310580 3.361316
H -3.675086 -0.908720 2.045498
H -2.803781 0.412268 2.901405
H -2.776233 1.598652 -1.523294
H -3.215940 -2.364889 0.199354
H -4.725008 1.153383 -3.040823
H -5.196771 -2.792701 -1.278874
H -5.955055 -1.036597 -2.912471


