%chk=000171188.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171188

0 1
 O    3.443300       2.811700     -8.9199997E-02
 O   -3.364200      -2.029400      0.5612000    
 O   -3.510600       2.611700      0.6237000    
 O   -7.797200      9.3000002E-02  -1.627200    
 N    3.540900      0.5590000     -0.1190000    
 N   -3.475500      0.2785000      0.6239000    
 N    3.781000      -1.657900     -0.1642000    
 N   -1.586700      -4.424000      0.3723000    
 C   0.7173000      0.4489000      0.1751000    
 C  -0.6905000      0.3929000      0.3218000    
 C    1.460500     -0.7539000      8.6199999E-02
 C    1.347000       1.713900      0.1209000    
 C   -1.319000     -0.8591000      0.3755000    
 C   -1.414800       1.591400      0.4081000    
 C    2.913400     -0.6727000     -6.4800002E-02
 C    2.825500       1.759000     -3.3100002E-02
 C   0.8112000      -1.988600      0.1421000    
 C  -0.5728000      -2.041400      0.2860000    
 C   -2.789000     -0.9442000      0.5285000    
 C   -2.885700       1.554700      0.5622000    
 C   0.6162000       2.896800      0.2077000    
 C  -0.7662000       2.833400      0.3513000    
 C    4.894200      0.3327000     -0.2625000    
 C   -4.923800      0.2197000      0.8022000    
 C    5.009700      -1.057000     -0.2871000    
 C   -5.673700      0.1834000     -0.5228000    
 C    6.006800       1.176000     -0.3711000    
 C    6.278800      -1.645900     -0.4250000    
 C   -7.186500      0.1419000     -0.3444000    
 C   -1.134300      -3.360600      0.3338000    
 C    7.261800      0.5729000     -0.5077000    
 C    7.397900     -0.8144000     -0.5344000    
 C   -9.214900      7.7399999E-02  -1.529700    
 H    1.390000      -2.908300      7.2999999E-02
 H    1.101600       3.867400      0.1658000    
 H   -1.323000       3.764500      0.4181000    
 H   -5.250700       1.089800       1.384100    
 H   -5.179900     -0.6670000       1.394400    
 H   -5.406800       1.056500      -1.132400    
 H   -5.355500     -0.6850000      -1.113900    
 H    5.916300       2.256000     -0.3520000    
 H    6.393100      -2.725200     -0.4467000    
 H   -7.472800     -0.7460000      0.2313000    
 H   -7.525000       1.036400      0.1912000    
 H    8.146500       1.198800     -0.5946000    
 H    8.385100      -1.256200     -0.6415000    
 H   -9.575900      0.9879000      -1.041600    
 H   -9.551900     -0.8055000     -0.9779000    
 H   -9.629000      3.6100000E-02  -2.540700    


%chk=000171188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171188

0 1
O 3.496809 2.920532 -0.121429
O -3.458489 -2.046853 0.668472
O -3.597407 2.618339 0.704540
O -7.810715 0.171482 -1.684212
N 3.554093 0.582957 -0.134208
N -3.512255 0.284160 0.701847
N 3.819626 -1.705766 -0.169414
N -1.475688 -4.566050 0.451001
C 0.747376 0.431986 0.189445
C -0.678446 0.366194 0.356736
C 1.495294 -0.792883 0.100096
C 1.394808 1.710810 0.117035
C -1.343850 -0.899866 0.432592
C -1.425164 1.585439 0.447758
C 2.933179 -0.704832 -0.066174
C 2.874478 1.825208 -0.053307
C 0.835811 -2.028310 0.175457
C -0.580974 -2.093610 0.341060
C -2.821675 -0.956090 0.603546
C -2.905251 1.561348 0.622682
C 0.634391 2.890450 0.207489
C -0.771390 2.826636 0.371991
C 4.943851 0.350937 -0.292585
C -4.993838 0.231917 0.858611
C 5.078947 -1.079276 -0.311290
C -5.709273 0.218475 -0.510048
C 6.045288 1.216377 -0.414282
C 6.351533 -1.673207 -0.456774
C -7.230985 0.159455 -0.339282
C -1.156548 -3.414527 0.407815
C 7.311262 0.602092 -0.558702
C 7.463508 -0.814332 -0.580030
C -9.270429 0.106131 -1.658011
H 1.420777 -2.949732 0.106264
H 1.155595 3.850984 0.147887
H -1.377613 3.734804 0.443572
H -5.286849 1.121783 1.440303
H -5.226660 -0.684104 1.426469
H -5.452428 1.129541 -1.079716
H -5.384363 -0.658606 -1.097756
H 5.923340 2.300872 -0.397155
H 6.454556 -2.761745 -0.471160
H -7.532830 -0.767568 0.200685
H -7.598459 1.035259 0.244349
H 8.199762 1.234886 -0.656901
H 8.465393 -1.241017 -0.694356
H -9.708119 0.976475 -1.122933
H -9.627995 -0.827303 -1.172316
H -9.599786 0.120149 -2.708758


