%chk=000173642.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173642

0 1
 O    2.037400      0.1344000      -1.578600    
 O   0.2812000      -3.384500       1.974500    
 N   0.3096000     -0.6306000     -0.2354000    
 N  -0.7338000       1.349000      -1.090500    
 N    2.019300      -2.330600      0.8920000    
 N    5.295200      0.5362000      -1.231500    
 N    5.835800       1.923300      0.4164000    
 C   -2.084000     -0.4493000     -0.1733000    
 C  -0.8120000     -0.1063000      -1.013200    
 C   -1.596900      -1.489100      0.8486000    
 C   -3.235300     -0.9664000      -1.033100    
 C  -0.1116000      -1.187600       1.042500    
 C   -2.417400      0.8922000      0.4308000    
 C   -1.598800       1.873200     -0.1362000    
 C    1.643700     -0.4884000     -0.5948000    
 C   -3.490200      3.1300001E-02  -2.182200    
 C   -2.835000      -2.326800      -1.641200    
 C   0.7075000      -2.433000       1.324500    
 C   -4.549900      -1.159500     -0.2829000    
 C    2.590500      -1.066800      0.4502000    
 C   -3.375300       1.213900       1.379300    
 C   -1.748400       3.205000      0.2098000    
 C    3.995600      -1.260600     -9.7400002E-02
 C   -3.514000       2.551800       1.750900    
 C   -2.708300       3.541300       1.167500    
 C   -5.721200     -0.5612000     -0.5332000    
 C    4.778000      2.7400000E-02 -9.6500002E-02
 C    5.106200      0.8696000      0.9071000    
 C    5.932000       1.691900     -0.8740000    
 H  -0.7394000     -0.5417000      -2.012700    
 H   -1.697600      -2.521500      0.5098000    
 H   -2.129900      -1.431000       1.804900    
 H   6.3100003E-02 -0.4413000       1.825600    
 H   7.9899997E-02   1.847400      -1.421100    
 H   -4.277700     -0.3332000      -2.856200    
 H   -3.793900       1.029000      -1.846300    
 H   -2.620000      0.1569000      -2.834400    
 H   -2.954300      -3.160900     -0.9405000    
 H   -1.816300      -2.357500      -2.036000    
 H   -3.495100      -2.571000      -2.484500    
 H   -4.525800      -1.868100      0.5441000    
 H    2.582100     -0.3970000       1.319300    
 H   -3.994000      0.4594000       1.851100    
 H    2.643300      -3.103400       1.104400    
 H   -1.134400       3.976100     -0.2441000    
 H    3.968100      -1.695800      -1.104900    
 H    4.549400      -1.973300      0.5284000    
 H   -4.252800       2.831500       2.496900    
 H   -2.835200       4.579500       1.462100    
 H   -6.581500     -0.7979000      8.5800000E-02
 H   -5.882100      0.1631000      -1.320600    
 H    5.231500      0.1513000      -2.165100    
 H    4.870100      0.7947000       1.958600    
 H    6.441600       2.313800      -1.596200    


%chk=000173642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173642

0 1
O 2.053780 0.250258 -1.374620
O 0.142399 -3.082355 2.475514
N 0.322589 -0.441085 -0.016034
N -0.788776 1.506099 -1.061805
N 1.965399 -2.035269 1.469450
N 4.738252 0.721850 -1.075300
N 6.833598 1.055638 -0.290512
C -2.092359 -0.367060 -0.246119
C -0.741309 0.053900 -0.958678
C -1.669128 -1.389524 0.856523
C -3.179664 -0.957682 -1.262338
C -0.233989 -0.983822 1.248201
C -2.527528 0.978204 0.367383
C -1.725416 2.032439 -0.155749
C 1.647931 -0.319291 -0.300178
C -3.612659 0.135622 -2.270154
C -2.609098 -2.167723 -2.070071
C 0.624566 -2.133786 1.791935
C -4.363666 -1.502960 -0.458171
C 2.610746 -0.899070 0.766114
C -3.543272 1.263163 1.292868
C -1.934706 3.375076 0.222780
C 3.966296 -1.377890 0.159192
C -3.764983 2.609287 1.690231
C -2.968750 3.648066 1.152972
C -5.652934 -1.089019 -0.512915
C 4.965228 -0.292993 -0.137888
C 6.267418 -0.068874 0.331165
C 5.876896 1.508918 -1.131468
H -0.549881 -0.403528 -1.941234
H -1.657429 -2.424964 0.477281
H -2.341328 -1.358719 1.726642
H -0.264642 -0.183195 2.018317
H 0.001914 2.020196 -1.447274
H -4.332845 -0.280633 -2.997494
H -4.085586 0.994173 -1.764053
H -2.742127 0.518576 -2.831215
H -2.245749 -2.985455 -1.422355
H -1.784043 -1.867025 -2.741234
H -3.411357 -2.585658 -2.703955
H -4.120022 -2.359434 0.191612
H 2.831158 -0.080646 1.487609
H -4.167920 0.459595 1.696824
H 2.572933 -2.770384 1.843608
H -1.318429 4.184793 -0.182779
H 3.749224 -1.985059 -0.740890
H 4.440517 -2.052404 0.897469
H -4.553764 2.842508 2.412814
H -3.146832 4.683761 1.464550
H -6.430630 -1.583776 0.080354
H -5.975242 -0.251844 -1.141624
H 3.823522 0.814507 -1.544899
H 6.828461 -0.645531 1.064615
H 5.972232 2.378928 -1.776516


