%chk=000178511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178511

0 1
 O   0.9355000       2.146500     -0.2811000    
 O  -0.3180000      -2.217000     -0.1521000    
 O  -0.5671000      -1.187500       1.779800    
 N  -0.4329000      -1.204700      0.5498000    
 C    2.143000      0.1401000      0.2911000    
 C   0.8200000      0.8966000      0.3953000    
 C    2.453400     -0.2101000      -1.170500    
 C    3.284500      0.9566000      0.9116000    
 C    3.798000     -0.9207000      -1.306600    
 C    4.627900      0.2442000      0.7720000    
 C  -0.3841000      0.1101000     -0.1412000    
 C    4.928900     -0.1100000     -0.6810000    
 C   -1.752300      0.7625000      9.6600004E-02
 C   -2.959700     -9.8700002E-02 -0.2907000    
 C   -4.299300      0.6195000     -0.1171000    
 C   -5.471000     -0.3116000     -0.4314000    
 C   -6.806800      0.3844000     -0.2246000    
 H    2.081200     -0.7963000      0.8602000    
 H   0.6533000       1.138000       1.454000    
 H    2.470300      0.6973000      -1.787100    
 H    1.690500     -0.8693000      -1.594900    
 H    3.081600       1.137000       1.974100    
 H    3.360700       1.940200      0.4316000    
 H    4.015600      -1.098900      -2.365800    
 H    3.742000      -1.903500     -0.8224000    
 H    4.620000     -0.6710000       1.376900    
 H    5.426100      0.8816000       1.168900    
 H  -0.2894000     -7.4000001E-02  -1.217200    
 H    5.864400     -0.6780000     -0.7361000    
 H    5.079400      0.8111000      -1.257400    
 H   -1.853700       1.055400       1.150400    
 H   -1.797600       1.695300     -0.4796000    
 H   -2.855300     -0.4158000      -1.335800    
 H   -2.984200      -1.010200      0.3175000    
 H   0.1559000       2.680700     -5.4499999E-02
 H   -4.334300       1.497000     -0.7738000    
 H   -4.387100      0.9830000      0.9139000    
 H   -5.427000      -1.198000      0.2121000    
 H   -5.401600     -0.6597000      -1.468600    
 H   -6.921000      0.7141000      0.8131000    
 H   -6.897700       1.259700     -0.8756000    
 H   -7.630000     -0.2986000     -0.4564000    


%chk=000178511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178511

0 1
O 0.776237 2.027878 -0.239139
O -0.234863 -2.496219 0.483210
O -0.666770 -1.127850 2.257519
N -0.449039 -1.338094 1.003178
C 2.177721 0.088678 0.226519
C 0.811927 0.757520 0.501888
C 2.473910 -0.098392 -1.285345
C 3.312250 0.898764 0.908546
C 3.862121 -0.745302 -1.510069
C 4.698216 0.252309 0.679478
C -0.421961 -0.117056 0.082653
C 4.987429 0.068105 -0.828607
C -1.762442 0.636327 0.185747
C -2.998697 -0.225092 -0.156564
C -4.304628 0.601052 -0.152393
C -5.556390 -0.243121 -0.482980
C -6.857150 0.588482 -0.485256
H 2.152092 -0.918246 0.698428
H 0.713893 0.944274 1.594231
H 2.434850 0.891145 -1.779692
H 1.698975 -0.731193 -1.760084
H 3.110015 0.980476 1.996059
H 3.306925 1.926903 0.496886
H 4.059236 -0.836717 -2.595868
H 3.857002 -1.775885 -1.098132
H 4.729781 -0.737743 1.180281
H 5.485200 0.873382 1.149685
H -0.285040 -0.532615 -0.929247
H 5.964054 -0.433003 -0.974268
H 5.060256 1.065146 -1.310430
H -1.868789 1.054453 1.206527
H -1.705126 1.481187 -0.527137
H -2.861822 -0.691933 -1.153647
H -3.093969 -1.054968 0.571576
H 0.155574 2.653516 0.210597
H -4.219668 1.431455 -0.884569
H -4.437403 1.073983 0.843096
H -5.643995 -1.067664 0.253167
H -5.421215 -0.723758 -1.473321
H -7.029507 1.058163 0.501604
H -6.810087 1.397600 -1.238418
H -7.737001 -0.038648 -0.718310


