%chk=000178861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178861

0 1
 O   -5.297600      -1.343600      0.1483000    
 O    3.293400       1.850500     -0.4880000    
 O    2.958400      -3.930100     -6.9100000E-02
 O    4.642100      0.3354000      0.5802000    
 O    4.631000      -2.362600     -3.5000000E-02
 N   0.2223000     -0.9301000      8.2500003E-02
 N    1.056000      -1.982900      3.0999999E-02
 C    1.054100      0.1145000      0.1094000    
 C    2.408400     -0.2682000      7.5099997E-02
 C   -1.158600      -1.034100      9.8999999E-02
 C   0.5530000       1.466000      0.1675000    
 C    2.376300      -1.640400      2.4700001E-02
 C   -1.785400      -2.106200     -0.5363000    
 C   -1.922700     -6.6100001E-02  0.7510000    
 C  -0.2715000       1.949200     -0.8486000    
 C   0.8929000       2.289600       1.240800    
 C    3.533700      0.6202000      9.2100002E-02
 C   -3.940300      -1.242300      0.1328000    
 C   -3.176400      -2.210300     -0.5194000    
 C   -3.313400     -0.1703000      0.7679000    
 C    3.411600      -2.623600     -2.6900001E-02
 C  -0.7564000       3.255900     -0.7912000    
 C   0.4079000       3.596200       1.298200    
 C   -6.039000     -0.1259000      0.2037000    
 C  -0.4166000       4.079300      0.2822000    
 C   -7.378200     -0.3337000     -0.4867000    
 C    4.375900       2.787900     -0.5049000    
 C   -8.219300      0.9301000     -0.4799000    
 C    3.913900       4.062900      -1.177600    
 C    3.944500      -4.967100     -0.1224000    
 H   -1.214600      -2.870300      -1.058100    
 H   -1.495300      0.7297000       1.349000    
 H  -0.5352000       1.332200      -1.704700    
 H    1.527300       1.930200       2.047600    
 H   -3.659600      -3.046400      -1.017600    
 H   -3.869300      0.5772000       1.326400    
 H   -1.395200       3.633500      -1.584200    
 H   0.6713000       4.237100       2.134500    
 H   -6.194500      0.1500000       1.253000    
 H   -5.515100      0.6882000     -0.3142000    
 H  -0.7934000       5.096900      0.3265000    
 H   -7.923800      -1.147200      6.5000001E-03
 H   -7.213100     -0.6646000      -1.519100    
 H    5.218300       2.359600      -1.058800    
 H    4.686600       3.002100      0.5235000    
 H   -8.425900       1.258400      0.5438000    
 H   -7.709900       1.744000      -1.005700    
 H   -9.176800      0.7510000     -0.9787000    
 H    4.720100       4.800900      -1.212900    
 H    3.062600       4.495000     -0.6416000    
 H    3.575400       3.858900      -2.198800    
 H    4.549100      -4.865400      -1.028300    
 H    4.575600      -4.932700      0.7704000    
 H    3.425700      -5.928900     -0.1507000    


%chk=000178861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178861

0 1
O -5.512742 -1.221734 -0.671614
O 4.315989 1.054429 -0.394784
O 3.087620 -2.942282 -0.883669
O 3.393620 2.186427 1.421611
O 4.290960 -1.705505 0.685481
N 0.039793 -0.267987 -0.159332
N 0.852659 -1.389584 -0.309093
C 0.764602 0.888743 0.165436
C 2.115398 0.474694 0.238734
C -1.383345 -0.460841 -0.265326
C 0.169470 2.242656 0.215512
C 2.116068 -0.926263 -0.075359
C -1.877704 -1.351523 -1.250517
C -2.273060 0.175223 0.626316
C -0.714581 2.672072 -0.814515
C 0.494214 3.141914 1.266471
C 3.295747 1.325811 0.509271
C -4.159523 -0.926211 -0.476193
C -3.258255 -1.581719 -1.354892
C -3.661943 -0.046679 0.519405
C 3.272062 -1.854940 -0.031952
C -1.270874 3.966669 -0.784896
C -0.069211 4.436568 1.292300
C -6.499957 -0.581662 0.221285
C -0.954404 4.853308 0.272193
C -7.883030 -1.072404 -0.212138
C 5.634332 1.698045 -0.108421
C -9.001787 -0.458170 0.657709
C 6.617870 1.145784 -1.134415
C 4.165415 -3.958491 -0.845104
H -1.171926 -1.864008 -1.909638
H -1.890647 0.837795 1.407719
H -0.952884 1.996715 -1.643025
H 1.198201 2.828572 2.042121
H -3.662449 -2.265396 -2.106942
H -4.334191 0.457153 1.219014
H -1.944001 4.285803 -1.588081
H 0.190104 5.119838 2.108222
H -6.287778 -0.866732 1.273042
H -6.422800 0.522167 0.128892
H -1.387578 5.859590 0.294622
H -7.907313 -2.175867 -0.145308
H -8.036740 -0.811059 -1.275565
H 5.918132 1.446270 0.929070
H 5.509172 2.793691 -0.181275
H -8.879811 -0.729004 1.723284
H -9.008267 0.645862 0.587085
H -9.992378 -0.820539 0.331563
H 7.618483 1.585669 -0.969321
H 6.295890 1.388787 -2.161628
H 6.697213 0.049488 -1.040733
H 5.126230 -3.508935 -1.148349
H 4.265802 -4.372687 0.172477
H 3.844435 -4.729923 -1.558549


