%chk=000174610.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174610

0 1
 O    2.717300       1.748800     -0.4773000    
 O   0.7185000       1.314900       2.241900    
 O   0.3332000      -2.909300     -0.7825000    
 O    4.047600       1.257800       1.343900    
 O   -7.795600     -0.2765000     -0.8261000    
 O    5.198000      -2.939400      0.8892000    
 N   0.4603000      0.3618000      0.1352000    
 N    2.154200      -1.787800      0.1689000    
 N    5.082100     -0.8531000     -4.5200001E-02
 C  -8.6400002E-02 -0.9265000      0.5344000    
 C    1.742500       2.405900      0.3541000    
 C   0.8842000       3.303700     -0.5220000    
 C   -1.544800      -1.039300      0.1218000    
 C   0.9123000       1.319600       1.028800    
 C   -2.395400      5.0799999E-02  0.7746000    
 C  -0.2233000       3.969600      0.2978000    
 C    1.738300       4.365800      -1.218400    
 C   0.8059000      -1.977000     -0.1368000    
 C   -3.838000     -3.6899999E-02  0.3467000    
 C    4.489500      0.2384000     -0.8217000    
 C    3.755100       1.128600      0.1623000    
 C   -4.259700      0.6605000     -0.7754000    
 C   -4.720600     -0.8132000       1.082800    
 C    3.242500      -2.463200     -0.3333000    
 C    5.560400       1.035200      -1.549000    
 C    4.578600      -2.109100      0.2220000    
 C   -5.595000      0.5797000      -1.170600    
 C   -6.055900     -0.8940000      0.6875000    
 C   -6.493100     -0.1975000     -0.4391000    
 C    3.247200      -3.429300      -1.260500    
 C   -8.660400      -1.088800     -3.3599999E-02
 H   1.1000000E-02  -1.048100       1.619900    
 H    2.252900       2.998600       1.124100    
 H   0.4098000       2.712200      -1.315800    
 H   -1.931400      -2.029200      0.3972000    
 H   -1.632500     -0.9704000     -0.9712000    
 H   0.6411000      0.5001000     -0.8551000    
 H   -2.020900       1.049200      0.5209000    
 H   -2.330000     -2.3100000E-02   1.867900    
 H   0.1928000       4.553500       1.125900    
 H  -0.8105000       4.649700     -0.3290000    
 H  -0.9189000       3.235400      0.7142000    
 H    2.260900       4.994800     -0.4896000    
 H    1.115200       5.017800      -1.839900    
 H    2.488100       3.909000      -1.872600    
 H    3.777700     -0.1836000      -1.537500    
 H    2.372300      -1.061500      0.8464000    
 H   -3.567500       1.267000      -1.352600    
 H   -4.388200      -1.360300       1.960500    
 H    5.975800     -0.6458000      0.3912000    
 H    5.114800       1.849600      -2.130100    
 H    6.273000       1.482100     -0.8463000    
 H    6.125200      0.3933000      -2.233200    
 H   -5.929500       1.123900      -2.049600    
 H   -6.699400      -1.516000       1.300200    
 H    2.347900      -3.784500      -1.747200    
 H    4.173100      -3.899900      -1.579500    
 H   -8.355200      -2.140600     -5.4200001E-02
 H   -9.656600      -1.036200     -0.4847000    
 H   -8.751000     -0.7029000      0.9875000    


%chk=000174610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174610

0 1
O 2.793959 1.945450 -0.501569
O 0.406831 1.593105 2.169186
O 0.343189 -2.880443 -0.752702
O 3.632231 0.828413 1.362725
O -7.887493 -0.625553 -0.945239
O 5.541205 -3.129266 0.388824
N 0.593694 0.495386 0.111723
N 2.220820 -1.833736 0.190968
N 5.073843 -0.963214 -0.240717
C -0.017683 -0.788071 0.515783
C 1.790955 2.624849 0.410991
C 1.091019 3.708513 -0.437401
C -1.492954 -0.934702 0.084908
C 0.854933 1.534555 0.990216
C -2.411743 0.137121 0.728404
C -0.033963 4.382982 0.385439
C 2.116488 4.752359 -0.937577
C 0.848889 -1.946007 -0.069253
C -3.868259 -0.052139 0.331224
C 4.363078 0.130022 -0.907785
C 3.601574 0.992855 0.123069
C -4.366735 0.468350 -0.894334
C -4.761930 -0.785042 1.147157
C 3.248261 -2.704121 -0.286228
C 5.341266 0.996190 -1.739532
C 4.684836 -2.286169 -0.011511
C -5.700526 0.263155 -1.291143
C -6.107346 -1.004489 0.769126
C -6.576719 -0.478151 -0.459000
C 3.046983 -3.888413 -0.933044
C -8.828585 -1.387405 -0.122539
H 0.036476 -0.805279 1.624517
H 2.331819 3.066823 1.266497
H 0.635132 3.209410 -1.317608
H -1.836208 -1.946054 0.368826
H -1.565723 -0.889934 -1.018165
H 0.932232 0.584247 -0.850253
H -2.061648 1.142545 0.423694
H -2.303626 0.091400 1.828825
H 0.376886 4.878429 1.284437
H -0.533868 5.152516 -0.229030
H -0.797899 3.661953 0.724040
H 2.581704 5.282703 -0.085006
H 1.615201 5.507106 -1.569675
H 2.918543 4.281932 -1.531825
H 3.605241 -0.295649 -1.591854
H 2.507848 -1.105240 0.855675
H -3.700193 1.048366 -1.545308
H -4.405747 -1.192395 2.101630
H 6.032591 -0.770011 0.065039
H 4.798416 1.816586 -2.236512
H 6.122108 1.439962 -1.095064
H 5.830272 0.372953 -2.506690
H -6.087721 0.665746 -2.232321
H -6.767250 -1.573590 1.430969
H 2.048494 -4.267424 -1.150646
H 3.927096 -4.466828 -1.226412
H -8.484814 -2.430229 0.024086
H -9.772328 -1.384710 -0.687611
H -8.983653 -0.907418 0.863778


